Re: NAMD: Force Fields

From: Olya Kravchenko (okrav_at_ucdavis.edu)
Date: Fri Apr 23 2004 - 11:32:52 CDT

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> 2. Could NAMD work with other force fields, except CHARMM?

As far as I'm aware of it works with Amber, X-PLOR and Gromacs. See namd
manual:
http://www.ks.uiuc.edu/Research/namd/current/ug/ --> input and output files.

> 3. How we could generate psf file using psfgen, since it does not work
> as an executable, is there some specific commands?

I use vmd plugin to run psfgen. You need to prepare *.pgn file ( see tutorial:
http://www.ks.uiuc.edu/Training/SumSchool/materials/sources/tutorials/02-namd-tutorial/namd-tutorial-html/node6.html)
and then use the following command: vmd -dispdev text -e your_file.pgn

Hope that helps.

Olya

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