------------------------------------------ Fortran Source Code for the TINKER Package ------------------------------------------ This subdirectory contains the Fortran 95 source code for the current version of the TINKER program package. The code is in a standard Fortran dialect that should compile unchanged on most machines. Script files to build the package on a variety of systems are in subdirectories named for the machine/operating system. Only a few source files may require editing prior to building: "sizes.i" which contains the master array dimensions used throughout the package, and "openend.f" which is a system dependent routine to open a file at the end. In addition, if your system does not support the iargc/getarg mechanism for command line arguments, then comment out the call to the subroutine "command" at the bottom of the source file "initial.f". If you are building an OpenMP-capable version of TINKER with a compiler other than the Intel Fortran compiler, then it may be necessary remove the calls to the Intel-specific extensions "kmp_set_stacksize" and "kmp-set-blocksize" near the top of the file "initial.f".