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