Index of /tinker/distribution/source

      Name                    Last modified      Size  Description
Parent Directory - server.c 2021-04-23 08:25 15K pmpb.c 2021-07-16 20:57 35K 0README 2025-08-04 11:39 1.3K mdinit.new 2025-12-01 11:08 17K action.f 2025-12-05 22:12 2.6K active.f 2025-12-05 22:12 6.9K alchemy.f 2025-12-05 22:12 16K alfmol.f 2025-12-05 22:12 1.2K align.f 2025-12-05 22:12 961 alterchg.f 2025-12-05 22:12 6.7K alterpol.f 2025-12-05 22:12 17K analysis.f 2025-12-05 22:12 7.3K analyz.f 2025-12-05 22:12 3.4K analyze.f 2025-12-05 22:12 93K angang.f 2025-12-05 22:12 915 angbnd.f 2025-12-05 22:12 1.1K angles.f 2025-12-05 22:12 2.6K angpot.f 2025-12-05 22:12 2.1K angtor.f 2025-12-05 22:12 967 anneal.f 2025-12-05 22:12 9.8K arcedit.f 2025-12-05 22:12 19K argue.f 2025-12-05 22:12 1.0K ascii.f 2025-12-05 22:12 4.1K atmlst.f 2025-12-05 22:12 966 atomid.f 2025-12-05 22:12 1.3K atoms.f 2025-12-05 22:12 1.0K attach.f 2025-12-05 22:12 4.1K baoab.f 2025-12-05 22:12 12K bar.f 2025-12-05 22:12 36K basefile.f 2025-12-05 22:12 2.4K bath.f 2025-12-05 22:12 2.4K beeman.f 2025-12-05 22:12 5.2K bicubic.f 2025-12-05 22:12 8.4K bitor.f 2025-12-05 22:12 817 bitors.f 2025-12-05 22:12 2.3K bndpot.f 2025-12-05 22:12 1.0K bndstr.f 2025-12-05 22:12 1.0K bonds.f 2025-12-05 22:12 1.9K born.f 2025-12-05 22:12 39K bound.f 2025-12-05 22:12 1.1K bounds.f 2025-12-05 22:12 3.8K boxes.f 2025-12-05 22:12 2.9K calendar.f 2025-12-05 22:12 1.5K cell.f 2025-12-05 22:12 1.3K center.f 2025-12-05 22:12 2.1K cflux.f 2025-12-05 22:12 1.1K charge.f 2025-12-05 22:12 1.2K chgpen.f 2025-12-05 22:12 1.2K chgpot.f 2025-12-05 22:12 1.5K chgtrn.f 2025-12-05 22:12 1.0K chkpole.f 2025-12-05 22:12 3.0K chkring.f 2025-12-05 22:12 7.2K chksymm.f 2025-12-05 22:12 2.5K chkxyz.f 2025-12-05 22:12 1.9K cholesky.f 2025-12-05 22:12 3.0K chrono.f 2025-12-05 22:12 822 chunks.f 2025-12-05 22:12 1.5K clock.f 2025-12-05 22:12 2.1K cluster.f 2025-12-05 22:12 8.0K column.f 2025-12-05 22:12 2.0K command.f 2025-12-05 22:12 1.7K connect.f 2025-12-05 22:12 1.9K connolly.f 2025-12-05 22:12 101K control.f 2025-12-05 22:12 2.9K correlate.f 2025-12-05 22:12 13K couple.f 2025-12-05 22:12 1.4K critical.f 2025-12-05 22:12 11K crystal.f 2025-12-05 22:12 234K cspline.f 2025-12-05 22:12 7.5K ctrpot.f 2025-12-05 22:12 746 cutoffs.f 2025-12-05 22:12 12K damping.f 2025-12-05 22:12 36K dcflux.f 2025-12-05 22:12 5.4K deflate.f 2025-12-05 22:12 3.7K delete.f 2025-12-05 22:12 1.9K deriv.f 2025-12-05 22:12 3.5K dexpol.f 2025-12-05 22:12 26K diagq.f 2025-12-05 22:12 11K diffeq.f 2025-12-05 22:12 14K diffuse.f 2025-12-05 22:12 11K dipole.f 2025-12-05 22:12 1.0K disgeo.f 2025-12-05 22:12 1.3K disp.f 2025-12-05 22:12 1.1K distgeom.f 2025-12-05 22:12 21K dma.f 2025-12-05 22:12 1.5K document.f 2025-12-05 22:12 17K domega.f 2025-12-05 22:12 3.2K dsppot.f 2025-12-05 22:12 1.1K dynamic.f 2025-12-05 22:12 10K eangang.f 2025-12-05 22:12 4.2K eangang1.f 2025-12-05 22:12 7.8K eangang2.f 2025-12-05 22:12 11K eangang3.f 2025-12-05 22:12 5.6K eangle.f 2025-12-05 22:12 6.7K eangle1.f 2025-12-05 22:12 14K eangle2.f 2025-12-05 22:12 31K eangle3.f 2025-12-05 22:12 9.4K eangtor.f 2025-12-05 22:12 5.6K eangtor1.f 2025-12-05 22:12 12K eangtor2.f 2025-12-05 22:12 83K eangtor3.f 2025-12-05 22:12 7.2K ebond.f 2025-12-05 22:12 2.9K ebond1.f 2025-12-05 22:12 4.5K ebond2.f 2025-12-05 22:12 4.1K ebond3.f 2025-12-05 22:12 4.3K ebuck.f 2025-12-05 22:12 24K ebuck1.f 2025-12-05 22:12 36K ebuck2.f 2025-12-05 22:12 26K ebuck3.f 2025-12-05 22:12 33K echarge.f 2025-12-05 22:12 50K echarge1.f 2025-12-05 22:12 71K echarge2.f 2025-12-05 22:12 41K echarge3.f 2025-12-05 22:12 69K echgdpl.f 2025-12-05 22:12 6.1K echgdpl1.f 2025-12-05 22:12 13K echgdpl2.f 2025-12-05 22:12 72K echgdpl3.f 2025-12-05 22:12 9.2K echgtrn.f 2025-12-05 22:12 21K echgtrn1.f 2025-12-05 22:12 20K echgtrn2.f 2025-12-05 22:12 13K echgtrn3.f 2025-12-05 22:12 28K edipole.f 2025-12-05 22:12 6.7K edipole1.f 2025-12-05 22:12 17K edipole2.f 2025-12-05 22:12 73K edipole3.f 2025-12-05 22:12 10K edisp.f 2025-12-05 22:12 43K edisp1.f 2025-12-05 22:12 59K edisp2.f 2025-12-05 22:12 16K edisp3.f 2025-12-05 22:12 51K egauss.f 2025-12-05 22:12 28K egauss1.f 2025-12-05 22:12 42K egauss2.f 2025-12-05 22:12 35K egauss3.f 2025-12-05 22:12 38K egeom.f 2025-12-05 22:12 14K egeom1.f 2025-12-05 22:12 27K egeom2.f 2025-12-05 22:12 74K egeom3.f 2025-12-05 22:12 21K ehal.f 2025-12-05 22:12 26K ehal1.f 2025-12-05 22:12 39K ehal2.f 2025-12-05 22:12 23K ehal3.f 2025-12-05 22:12 34K eimprop.f 2025-12-05 22:12 4.4K eimprop1.f 2025-12-05 22:12 7.8K eimprop2.f 2025-12-05 22:12 31K eimprop3.f 2025-12-05 22:12 5.8K eimptor.f 2025-12-05 22:12 4.6K eimptor1.f 2025-12-05 22:12 8.2K eimptor2.f 2025-12-05 22:12 32K eimptor3.f 2025-12-05 22:12 6.3K elj.f 2025-12-05 22:12 31K elj1.f 2025-12-05 22:12 44K elj2.f 2025-12-05 22:12 37K elj3.f 2025-12-05 22:12 40K emetal.f 2025-12-05 22:12 5.5K emetal1.f 2025-12-05 22:12 12K emetal2.f 2025-12-05 22:12 876 emetal3.f 2025-12-05 22:12 1.3K emm3hb.f 2025-12-05 22:12 32K emm3hb1.f 2025-12-05 22:12 54K emm3hb2.f 2025-12-05 22:12 29K emm3hb3.f 2025-12-05 22:12 40K empole.f 2025-12-05 22:12 61K empole1.f 2025-12-05 22:12 136K empole2.f 2025-12-05 22:12 33K empole3.f 2025-12-05 22:12 75K energi.f 2025-12-05 22:12 2.5K energy.f 2025-12-05 22:12 3.9K eopbend.f 2025-12-05 22:12 4.8K eopbend1.f 2025-12-05 22:12 9.3K eopbend2.f 2025-12-05 22:12 11K eopbend3.f 2025-12-05 22:12 6.2K eopdist.f 2025-12-05 22:12 3.5K eopdist1.f 2025-12-05 22:12 6.3K eopdist2.f 2025-12-05 22:12 16K eopdist3.f 2025-12-05 22:12 5.0K epitors.f 2025-12-05 22:12 5.4K epitors1.f 2025-12-05 22:12 10K epitors2.f 2025-12-05 22:12 12K epitors3.f 2025-12-05 22:12 7.1K epolar.f 2025-12-05 22:12 62K epolar1.f 2025-12-05 22:12 384K epolar2.f 2025-12-05 22:12 103K epolar3.f 2025-12-05 22:12 74K erepel.f 2025-12-05 22:12 24K erepel1.f 2025-12-05 22:12 55K erepel2.f 2025-12-05 22:12 33K erepel3.f 2025-12-05 22:12 29K erf.f 2025-12-05 22:12 9.1K erxnfld.f 2025-12-05 22:12 29K erxnfld1.f 2025-12-05 22:12 1.1K erxnfld2.f 2025-12-05 22:12 852 erxnfld3.f 2025-12-05 22:12 4.3K esolv.f 2025-12-05 22:12 63K esolv1.f 2025-12-05 22:12 225K esolv2.f 2025-12-05 22:12 16K esolv3.f 2025-12-05 22:12 72K estrbnd.f 2025-12-05 22:12 3.5K estrbnd1.f 2025-12-05 22:12 6.9K estrbnd2.f 2025-12-05 22:12 20K estrbnd3.f 2025-12-05 22:12 4.9K estrtor.f 2025-12-05 22:12 5.7K estrtor1.f 2025-12-05 22:12 13K estrtor2.f 2025-12-05 22:12 87K estrtor3.f 2025-12-05 22:12 7.4K etors.f 2025-12-05 22:12 13K etors1.f 2025-12-05 22:12 21K etors2.f 2025-12-05 22:12 68K etors3.f 2025-12-05 22:12 16K etortor.f 2025-12-05 22:12 9.4K etortor1.f 2025-12-05 22:12 13K etortor2.f 2025-12-05 22:12 82K etortor3.f 2025-12-05 22:12 8.3K eurey.f 2025-12-05 22:12 2.4K eurey1.f 2025-12-05 22:12 3.9K eurey2.f 2025-12-05 22:12 3.3K eurey3.f 2025-12-05 22:12 3.8K evcorr.f 2025-12-05 22:12 11K ewald.f 2025-12-05 22:12 1.1K exfield.f 2025-12-05 22:12 11K expol.f 2025-12-05 22:12 1.4K extfld.f 2025-12-05 22:12 843 extra.f 2025-12-05 22:12 922 extra1.f 2025-12-05 22:12 1.3K extra2.f 2025-12-05 22:12 1.0K extra3.f 2025-12-05 22:12 1.1K faces.f 2025-12-05 22:12 5.6K fatal.f 2025-12-05 22:12 1.1K fft.f 2025-12-05 22:12 1.2K fft3d.f 2025-12-05 22:12 7.4K fftpack.f 2025-12-05 22:12 34K field.f 2025-12-05 22:12 3.3K fields.f 2025-12-05 22:12 858 files.f 2025-12-05 22:12 1.0K final.f 2025-12-05 22:12 43K findnuc.f 2025-12-05 22:12 15K findpro.f 2025-12-05 22:12 25K findseq.f 2025-12-05 22:12 11K flatten.f 2025-12-05 22:12 4.0K fracs.f 2025-12-05 22:12 971 freefix.f 2025-12-05 22:12 14K freeunit.f 2025-12-05 22:12 1.4K gda.f 2025-12-05 22:12 12K geometry.f 2025-12-05 22:12 2.8K getarc.f 2025-12-05 22:12 3.7K getcart.f 2025-12-05 22:12 3.8K getdcd.f 2025-12-05 22:12 3.2K getfloat.f 2025-12-05 22:12 1.6K getint.f 2025-12-05 22:12 2.4K getmol.f 2025-12-05 22:12 1.8K getmol2.f 2025-12-05 22:12 1.8K getnumb.f 2025-12-05 22:12 4.0K getpdb.f 2025-12-05 22:12 4.1K getref.f 2025-12-05 22:12 1.7K getstring.f 2025-12-05 22:12 3.9K gettext.f 2025-12-05 22:12 2.5K getword.f 2025-12-05 22:12 2.9K getxyz.f 2025-12-05 22:12 2.1K ghmcstep.f 2025-12-05 22:12 8.3K gkstuf.f 2025-12-05 22:12 810 gradrgd.f 2025-12-05 22:12 3.2K gradrot.f 2025-12-05 22:12 8.6K group.f 2025-12-05 22:12 1.5K groups.f 2025-12-05 22:12 4.1K grpline.f 2025-12-05 22:12 3.3K gyrate.f 2025-12-05 22:12 1.4K hescut.f 2025-12-05 22:12 730 hessian.f 2025-12-05 22:12 7.5K hessn.f 2025-12-05 22:12 1.0K hessrgd.f 2025-12-05 22:12 2.0K hessrot.f 2025-12-05 22:12 2.7K hpmf.f 2025-12-05 22:12 2.5K hybrid.f 2025-12-05 22:12 48K ielscf.f 2025-12-05 22:12 1.7K image.f 2025-12-05 22:12 11K impose.f 2025-12-05 22:12 3.0K improp.f 2025-12-05 22:12 1.1K imptor.f 2025-12-05 22:12 1.2K induce.f 2025-12-05 22:12 247K inertia.f 2025-12-05 22:12 5.1K inform.f 2025-12-05 22:12 1.5K initatom.f 2025-12-05 22:12 8.0K initial.f 2025-12-05 22:12 5.0K initneck.f 2025-12-05 22:12 76K initprm.f 2025-12-05 22:12 19K initres.f 2025-12-05 22:12 11K initrot.f 2025-12-05 22:12 10K insert.f 2025-12-05 22:12 1.9K intedit.f 2025-12-05 22:12 12K inter.f 2025-12-05 22:12 739 intxyz.f 2025-12-05 22:12 1.4K invbeta.f 2025-12-05 22:12 7.1K invert.f 2025-12-05 22:12 3.2K iounit.f 2025-12-05 22:12 798 jacobi.f 2025-12-05 22:12 4.9K kanang.f 2025-12-05 22:12 773 kangang.f 2025-12-05 22:12 3.6K kangle.f 2025-12-05 22:12 32K kangs.f 2025-12-05 22:12 3.0K kangtor.f 2025-12-05 22:12 7.4K kantor.f 2025-12-05 22:12 1.0K katom.f 2025-12-05 22:12 8.6K katoms.f 2025-12-05 22:12 1.2K kbond.f 2025-12-05 22:12 20K kbonds.f 2025-12-05 22:12 2.5K kcflux.f 2025-12-05 22:12 1.3K kcharge.f 2025-12-05 22:12 11K kchgflx.f 2025-12-05 22:12 7.5K kchgtrn.f 2025-12-05 22:12 5.6K kchrge.f 2025-12-05 22:12 750 kcpen.f 2025-12-05 22:12 917 kctrn.f 2025-12-05 22:12 898 kdipol.f 2025-12-05 22:12 2.1K kdipole.f 2025-12-05 22:12 12K kdisp.f 2025-12-05 22:12 4.9K kdsp.f 2025-12-05 22:12 897 kewald.f 2025-12-05 22:12 12K kexpl.f 2025-12-05 22:12 1.1K kexpol.f 2025-12-05 22:12 5.0K kextra.f 2025-12-05 22:12 829 keys.f 2025-12-05 22:12 834 kgeom.f 2025-12-05 22:12 15K khbond.f 2025-12-05 22:12 1.0K kimprop.f 2025-12-05 22:12 11K kimptor.f 2025-12-05 22:12 17K kinetic.f 2025-12-05 22:12 5.9K kiprop.f 2025-12-05 22:12 1.1K kitors.f 2025-12-05 22:12 1.2K kmetal.f 2025-12-05 22:12 862 kmpole.f 2025-12-05 22:12 23K kmulti.f 2025-12-05 22:12 1.0K kopbend.f 2025-12-05 22:12 13K kopbnd.f 2025-12-05 22:12 970 kopdist.f 2025-12-05 22:12 8.5K kopdst.f 2025-12-05 22:12 1.0K korbit.f 2025-12-05 22:12 9.9K korbs.f 2025-12-05 22:12 2.1K kpitor.f 2025-12-05 22:12 1.0K kpitors.f 2025-12-05 22:12 4.7K kpolar.f 2025-12-05 22:12 26K kpolpr.f 2025-12-05 22:12 1.0K kpolr.f 2025-12-05 22:12 1.0K krepel.f 2025-12-05 22:12 5.4K krepl.f 2025-12-05 22:12 1.0K ksolut.f 2025-12-05 22:12 1.0K ksolv.f 2025-12-05 22:12 65K kstbnd.f 2025-12-05 22:12 940 kstrbnd.f 2025-12-05 22:12 25K kstrtor.f 2025-12-05 22:12 9.2K ksttor.f 2025-12-05 22:12 964 ktors.f 2025-12-05 22:12 42K ktorsn.f 2025-12-05 22:12 3.0K ktortor.f 2025-12-05 22:12 11K ktrtor.f 2025-12-05 22:12 1.9K kundrot.f 2025-12-05 22:12 32K kurey.f 2025-12-05 22:12 6.0K kurybr.f 2025-12-05 22:12 1.0K kvdw.f 2025-12-05 22:12 22K kvdwpr.f 2025-12-05 22:12 1.1K kvdws.f 2025-12-05 22:12 1.2K lattice.f 2025-12-05 22:12 4.9K lbfgs.f 2025-12-05 22:12 13K light.f 2025-12-05 22:12 2.0K lights.f 2025-12-05 22:12 12K limits.f 2025-12-05 22:12 2.8K linmin.f 2025-12-05 22:12 1.2K lusolve.f 2025-12-05 22:12 3.8K makeint.f 2025-12-05 22:12 12K makeref.f 2025-12-05 22:12 2.4K makexyz.f 2025-12-05 22:12 1.2K math.f 2025-12-05 22:12 1.9K maxwell.f 2025-12-05 22:12 1.9K mdavg.f 2025-12-05 22:12 8.1K mdsave.f 2025-12-05 22:12 11K mdstat.f 2025-12-05 22:12 11K mdstuf.f 2025-12-05 22:12 1.2K mechanic.f 2025-12-05 22:12 3.2K merck.f 2025-12-05 22:12 9.6K merge.f 2025-12-05 22:12 1.7K minima.f 2025-12-05 22:12 1.0K minimize.f 2025-12-05 22:12 8.4K minirot.f 2025-12-05 22:12 6.7K minrigid.f 2025-12-05 22:12 6.7K mol2xyz.f 2025-12-05 22:12 1.3K molcul.f 2025-12-05 22:12 1.2K moldyn.f 2025-12-05 22:12 1.1K molecule.f 2025-12-05 22:12 3.7K molxyz.f 2025-12-05 22:12 1.3K moment.f 2025-12-05 22:12 1.8K moments.f 2025-12-05 22:12 9.2K monte.f 2025-12-05 22:12 21K mplpot.f 2025-12-05 22:12 1.1K mpole.f 2025-12-05 22:12 1.8K mrecip.f 2025-12-05 22:12 1.5K mutant.f 2025-12-05 22:12 2.0K mutate.f 2025-12-05 22:12 13K nblist.f 2025-12-05 22:12 52K neck.f 2025-12-05 22:12 8.4K neigh.f 2025-12-05 22:12 4.0K newton.f 2025-12-05 22:12 11K newtrot.f 2025-12-05 22:12 9.7K nextarg.f 2025-12-05 22:12 1.4K nexttext.f 2025-12-05 22:12 1.2K nonpol.f 2025-12-05 22:12 2.5K nose.f 2025-12-05 22:12 8.0K nspline.f 2025-12-05 22:12 2.5K nucleic.f 2025-12-05 22:12 50K nucleo.f 2025-12-05 22:12 1.3K number.f 2025-12-05 22:12 2.6K numeral.f 2025-12-05 22:12 6.4K numgrad.f 2025-12-05 22:12 2.0K ocvm.f 2025-12-05 22:12 18K omega.f 2025-12-05 22:12 1.0K opbend.f 2025-12-05 22:12 961 opdist.f 2025-12-05 22:12 951 openend.f 2025-12-05 22:12 1.4K openmp.f 2025-12-05 22:12 880 optimize.f 2025-12-05 22:12 8.4K optinit.f 2025-12-05 22:12 1.9K optirot.f 2025-12-05 22:12 6.7K optrigid.f 2025-12-05 22:12 6.7K optsave.f 2025-12-05 22:12 9.4K orbital.f 2025-12-05 22:12 11K orbits.f 2025-12-05 22:12 944 orient.f 2025-12-05 22:12 12K orthog.f 2025-12-05 22:12 1.5K output.f 2025-12-05 22:12 1.6K overlap.f 2025-12-05 22:12 13K params.f 2025-12-05 22:12 845 path.f 2025-12-05 22:12 12K paths.f 2025-12-05 22:12 1.3K pbstuf.f 2025-12-05 22:12 4.1K pdb.f 2025-12-05 22:12 2.7K pdbxyz.f 2025-12-05 22:12 84K phipsi.f 2025-12-05 22:12 1.2K piorbs.f 2025-12-05 22:12 2.0K pistuf.f 2025-12-05 22:12 1.2K pitors.f 2025-12-05 22:12 958 pme.f 2025-12-05 22:12 2.6K pmestuf.f 2025-12-05 22:12 60K pmpb.f 2025-12-05 22:12 4.2K polar.f 2025-12-05 22:12 2.6K polarize.f 2025-12-05 22:12 14K poledit.f 2025-12-05 22:12 147K polgrp.f 2025-12-05 22:12 1.9K polopt.f 2025-12-05 22:12 1.8K polpcg.f 2025-12-05 22:12 1.1K polpot.f 2025-12-05 22:12 3.2K poltcg.f 2025-12-05 22:12 1.4K polymer.f 2025-12-05 22:12 3.6K potent.f 2025-12-05 22:12 3.4K potential.f 2025-12-05 22:12 80K potfit.f 2025-12-05 22:12 4.6K predict.f 2025-12-05 22:12 6.6K pressure.f 2025-12-05 22:12 29K prmedit.f 2025-12-05 22:12 74K prmkey.f 2025-12-05 22:12 25K promo.f 2025-12-05 22:12 1.5K protein.f 2025-12-05 22:12 59K prtarc.f 2025-12-05 22:12 7.9K prtcif.f 2025-12-05 22:12 8.7K prtdyn.f 2025-12-05 22:12 4.2K prterr.f 2025-12-05 22:12 1.3K prtfrc.f 2025-12-05 22:12 6.9K prtint.f 2025-12-05 22:12 3.4K prtmol2.f 2025-12-05 22:12 21K prtpdb.f 2025-12-05 22:12 6.1K prtprm.f 2025-12-05 22:12 47K prtseq.f 2025-12-05 22:12 1.9K prtuind.f 2025-12-05 22:12 7.9K prtvel.f 2025-12-05 22:12 6.9K prtxyz.f 2025-12-05 22:12 6.9K pss.f 2025-12-05 22:12 31K pssrigid.f 2025-12-05 22:12 18K pssrot.f 2025-12-05 22:12 16K ptable.f 2025-12-05 22:12 1.1K qmstuf.f 2025-12-05 22:12 1.4K qrsolve.f 2025-12-05 22:12 9.7K quatfit.f 2025-12-05 22:12 3.6K radial.f 2025-12-05 22:12 11K random.f 2025-12-05 22:12 9.1K readcart.f 2025-12-05 22:12 1.0K readcif.f 2025-12-05 22:12 22K readdcd.f 2025-12-05 22:12 4.5K readdyn.f 2025-12-05 22:12 4.8K readgau.f 2025-12-05 22:12 11K readgdma.f 2025-12-05 22:12 13K readint.f 2025-12-05 22:12 4.7K readmbis.f 2025-12-05 22:12 8.0K readmol.f 2025-12-05 22:12 3.2K readmol2.f 2025-12-05 22:12 4.8K readpdb.f 2025-12-05 22:12 46K readprm.f 2025-12-05 22:12 61K readseq.f 2025-12-05 22:12 4.1K readxyz.f 2025-12-05 22:12 8.7K refer.f 2025-12-05 22:12 2.4K repel.f 2025-12-05 22:12 1.5K replica.f 2025-12-05 22:12 4.3K reppot.f 2025-12-05 22:12 1.0K resdue.f 2025-12-05 22:12 4.9K respa.f 2025-12-05 22:12 25K restrn.f 2025-12-05 22:12 3.3K rgddyn.f 2025-12-05 22:12 1.5K rgdstep.f 2025-12-05 22:12 13K richmond.f 2025-12-05 22:12 39K rigid.f 2025-12-05 22:12 1.1K ring.f 2025-12-05 22:12 1.5K rings.f 2025-12-05 22:12 18K rmsfit.f 2025-12-05 22:12 1.3K rotbnd.f 2025-12-05 22:12 939 rotlist.f 2025-12-05 22:12 5.0K rotpole.f 2025-12-05 22:12 12K rxnfld.f 2025-12-05 22:12 887 rxnpot.f 2025-12-05 22:12 933 saddle.f 2025-12-05 22:12 32K scales.f 2025-12-05 22:12 859 scan.f 2025-12-05 22:12 20K sdstep.f 2025-12-05 22:12 12K search.f 2025-12-05 22:12 9.9K sequen.f 2025-12-05 22:12 1.4K server.f 2025-12-05 22:12 9.7K setprm.f 2025-12-05 22:12 21K shapes.f 2025-12-05 22:12 3.1K shunt.f 2025-12-05 22:12 1.9K sigmoid.f 2025-12-05 22:12 1.4K simplex.f 2025-12-05 22:12 10K sizes.f 2025-12-05 22:12 1.6K sktstuf.f 2025-12-05 22:12 9.7K sniffer.f 2025-12-05 22:12 13K socket.f 2025-12-05 22:12 1.2K solpot.f 2025-12-05 22:12 849 solute.f 2025-12-05 22:12 3.7K sort.f 2025-12-05 22:12 17K spacefill.f 2025-12-05 22:12 6.2K spectrum.f 2025-12-05 22:12 4.2K square.f 2025-12-05 22:12 36K stodyn.f 2025-12-05 22:12 948 strbnd.f 2025-12-05 22:12 919 strtor.f 2025-12-05 22:12 953 suffix.f 2025-12-05 22:12 2.0K superpose.f 2025-12-05 22:12 17K surface.f 2025-12-05 22:12 9.0K surfatom.f 2025-12-05 22:12 30K switch.f 2025-12-05 22:12 4.6K syntrn.f 2025-12-05 22:12 1.1K tarray.f 2025-12-05 22:12 1.0K tcgstuf.f 2025-12-05 22:12 24K temper.f 2025-12-05 22:12 12K testhess.f 2025-12-05 22:12 17K testpair.f 2025-12-05 22:12 22K testpol.f 2025-12-05 22:12 18K testrot.f 2025-12-05 22:12 14K testsurf.f 2025-12-05 22:12 8.2K testvir.f 2025-12-05 22:12 7.9K tettor.f 2025-12-05 22:12 848 tettors.f 2025-12-05 22:12 2.8K timer.f 2025-12-05 22:12 5.5K timerot.f 2025-12-05 22:12 5.1K titles.f 2025-12-05 22:12 819 tncg.f 2025-12-05 22:12 31K torphase.f 2025-12-05 22:12 1.6K torpot.f 2025-12-05 22:12 1.2K torque.f 2025-12-05 22:12 13K tors.f 2025-12-05 22:12 1.4K torsfit.f 2025-12-05 22:12 32K torsions.f 2025-12-05 22:12 2.1K tortor.f 2025-12-05 22:12 848 tree.f 2025-12-05 22:12 1.0K trimtext.f 2025-12-05 22:12 5.6K tritor.f 2025-12-05 22:12 834 tritors.f 2025-12-05 22:12 2.5K unionball.f 2025-12-05 22:12 366K unitcell.f 2025-12-05 22:12 4.4K units.f 2025-12-05 22:12 4.1K uprior.f 2025-12-05 22:12 2.1K urey.f 2025-12-05 22:12 1.0K urypot.f 2025-12-05 22:12 897 usage.f 2025-12-05 22:12 940 valence.f 2025-12-05 22:12 110K valfit.f 2025-12-05 22:12 1.3K vdw.f 2025-12-05 22:12 2.2K vdwpot.f 2025-12-05 22:12 2.3K version.f 2025-12-05 22:12 3.4K vibbig.f 2025-12-05 22:12 55K vibrate.f 2025-12-05 22:12 10K vibrot.f 2025-12-05 22:12 2.8K vibs.f 2025-12-05 22:12 1.0K virial.f 2025-12-05 22:12 839 volume.f 2025-12-05 22:12 11K warp.f 2025-12-05 22:12 1.5K xtalfit.f 2025-12-05 22:12 30K xtalmin.f 2025-12-05 22:12 18K xtals.f 2025-12-05 22:12 1.5K xyzatm.f 2025-12-05 22:12 5.9K xyzedit.f 2025-12-05 22:12 69K xyzint.f 2025-12-05 22:12 2.6K xyzmol2.f 2025-12-05 22:12 1.6K zatom.f 2025-12-05 22:12 4.8K zclose.f 2025-12-05 22:12 1.0K zcoord.f 2025-12-05 22:12 1.0K testgrad.f 2025-12-07 22:16 29K kfreeze.f 2025-12-07 22:19 19K freeze.f 2025-12-07 22:20 2.1K mdrest.f 2025-12-08 14:20 15K verlet.f 2025-12-08 14:37 4.3K depend.make 2025-12-08 14:44 20K shake.f 2025-12-13 13:57 8.8K rattle.f 2025-12-13 13:57 11K embed.f 2025-12-13 15:56 110K picalc.f 2025-12-13 15:57 25K mdinit.f 2025-12-13 16:04 16K gradient.f 2025-12-13 21:49 8.1K settle.f 2025-12-13 21:57 24K xyzpdb.f 2025-12-22 10:32 69K getkey.f 2025-12-27 01:24 4.8K getprm.f 2025-12-29 20:16 7.0K
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