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.
NAMD can read AMBER parm (combined structure and parameter) and coordinate files as input. Output file formats are still limited to PDB and CHARMM DCD trajectory files.