Re: W and S

From: Axel Kohlmeyer (
Date: Tue Sep 25 2012 - 12:45:40 CDT

You may add whatever you want. It is your simulation. However whether this will result in meaningful data is a different question. That would depend on what compound you want to model and what level of accuracy you expect. As generic force field much less accurate as protein force fields. There also is the question of mix and matching force fields in general.

------Original Message------
From: Mikhail Suyetin
Subject: namd-l: W and S
Sent: Sep 25, 2012 12:24 PM

Dear All,

I would like to perform investigation of system, which contains Mo and
S. May I add parameters for Mo and S from UFF to Namd input files and
perform calculations?

Thank you.

Dr. Axel Kohlmeyer
International Centre for Theoretical Physics, Trieste. Italy.

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