Installation

Installation
Installation of CHARMM

CHARMM runs on a variety of UNIX-like systems, although many installations currently are being done on Linux. With a little bit of work, the program can be installed on Windows machines via the CYGWIN emulation layer.

There are many options for installing CHARMM, many of which the beginning user need not touch. It is highly recommended that the user read install.doc and/or the installation board on the CHARMM forums before trying to install CHARMM.

CHARMM must be installed through a command line. The general format is:

./install.com  [  ]

The following is a list for the different types of installation based on your preferences and computer.

Note: Compiling with the gcc/gfortran 4.0 as your compiler may result in installation problems. It is recommended that gcc 4.1.1 or later be used. Currently gcc 4.2 is recommended due to trajectory file compatibility issues with gcc 4.1. If gcc 4.1 must be used, a workaround is available (consult the Installation board mentioned above for details). CHARMM is being updated to Fortran 95, so gcc3, which only has a Fortran 77 compiler (g77), will not compile recent versions. The Intel, Pathscale, and PGI compilers may also be used.