[gmx-users] .psf and .dcd files

[Ran Friedman]

Hi,

You can use wordom to convert .xtc files to .dcd.
As for the .psf AFAIK you'll have to work on it yourself using CHARMM or psfgen.

Ran

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Ran Friedman
Biträdande Lektor (Assistant Professor)

Linnaeus University
School of Natural Sciences
391 82 Kalmar, Sweden

Norrgård, room 328d
+46 480 446 290 Telephone
+46 76 207 8763 Mobile
ran.friedman at lnu.se
http://lnu.se/research-groups/computational-chemistry-and-biochemistry-group?l=en
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From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of atila petrosian [atila.petrosian at gmail.com]
Sent: 19 December 2010 11:04
To: gmx-users at gromacs.org
Subject: [gmx-users] .psf and .dcd files

Dear gromacs users

I did simulation of protein-ligand by gromacs 4.0.7 with amber 03 forcefield.

I need to .psf and .dcd files. can I convert/obtain them?

any help will highly appreciated.