New developers are encouraged to register at the FORUMS of charmm.org.

The following documentation is a good starting point for those who begin to work on CHARMM.

• usage.doc
• install.doc
• developer.doc

Make sure that your development is all ways based on the most current developmental version.

We recommend developers to post the development description on the FORUM Prerelease bugs and testing as early as possible. Use support/form/project.form to format the post.

CHARMM source code is normally written in standard FORTRAN77. In order to support multi-platform and multi-feature source, we use our own preprocessor PREFX. Refer to tool/prefx.src for further details of preprocessing. CHARMM makefiles are generated by using tool/setmk.com. You may have to set the compiler optimization level by hand when the default FC2 macro does not function correctly.

Testcases should be checked on at least two platforms. We recommend gnu/g77 (both serial and parallel runs) and sgi to compile and run test.com.

Documentation and testcase(s) must be submitted with newly developed source code. Consult the existing doc files and testcase input files for the appropriate format, respectively.