NAMD: Force Fields

From: Galina Petrova (ohgpp_at_chem.uni-sofia.bg)
Date: Fri Apr 23 2004 - 09:00:57 CDT

Dear colleagues,

We have some questions connected with molecular dynamics program NAMD
and would be glad if you could answer them:

1. Is the program only applicable to biomolecules or it is possible to
model also other types of systems, e.g. zeolites or inorganic oxides?
2. Could NAMD work with other force fields, except CHARMM? If it could
work with other force fields, could you inform us how these force fields
could be defined and in which files. Is it in the manual or other
documents some information about the concrete keywords, formatting, etc.
in the files connected with the definition of the force field?
3. How we could generate psf file using psfgen, since it does not work
as an executable, is there some specific commands?. Is psf file
necessary only for biomolecules or it is necessary also for other types
of systems?

Thank you very much for your attention,

Sincerely yours,

Galina Petrova

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:18:11 CST