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Subsections

New features in version 2.3b2

Charmrun on All Platforms

The former conv-host is now charmrun and is present on all platforms. On some platforms this is a script which attempts to provide a uniform command format. Your results may vary but on any platform you can try charmrun namd2 +p<procs> <configfile>.

Simple Local Usage

Workstation network versions of NAMD no longer require the ability to rsh localhost or a nodelist file in order to run only on the local machine. The new option ++local spawns processes directly, as in charmrun namd2 ++local +p<procs> <configfile>\verb.

Support for Scyld Beowulf

NAMD has been ported to the Linux-based Scyld Beowulf operating system, which provides a single system image for PC clusters.

Building PSF Structure Files

A new tool, psfgen, has been added, which uses CHARMM topology files and PDB coordinate files to generate PSF structure files suitable for use with NAMD.



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