FMD - Fast Molecular Dynamics

FMD (Fast Molecular Dynamics) is the molecular dynamics program being developed under the CCM-4 project of CHSSI. FMD uses the CHARMM/X-PLOR force field. It also utilizes the MPI message passing library, allowing it to run on workstation clusters and massively parallel platforms. A key feature is the incorporation of the FMM3D library (Fast Multipole Method in 3 Dimensions) which allows explicit calculation of long range forces at O(n) cost.

This page introduces you to the HTML versions of the documentation provided with FMD. It includes a User's Guide, a Programmer's Guide, and Quick Reference Sheet, and a distribution Policy statement. Along with these HTML formatted documents, there are Postscript and GNU info formatted versions provided as well.

We should note that only the Postscript version provides all of the equations which describe the CHARMM force-field. The other formats contain the same information, but lack the mathematical details.

INDEX of Available Documentation

[*]   FMD Quick Reference Page
[*]   FMD User's Guide
[*]   FMD Programmer's Guide
[*]   FMD Problem (Bug) Reporting
[*]   FMD Distribution Policy
[*]   FMD Documents in Postscript
[*]   FMD Documents in GNU info

This document is maintained by

James A. Lupo (lupoja@feynman.ml.wpafb.af.mil)

(Title image is that of an asprin molecule.)