From: AHMET BAKAN (ABAKAN_at_KU.EDU.TR)
Date: Fri Jun 04 2004 - 17:23:39 CDT
I gather required parameters from articles on Polymer Consistent Force Field and COMPASS. I think you will find any parameter necessary for ammonia.
I should check for their titles, I will email as soon as I find.
From: Leandro Martinez <lmartinez_at_iqm.unicamp.br>
Date: Fri, 4 Jun 2004 15:13:45 -0300
Subject: Re: namd-l: Simulation with ammonia
For a simple molecule as amonia you could write
your topology file by hand, that should not be
a problem. However, you should
obtain parameters for amonia. I don't know if there
are charmm parameters for that.
On Friday 04 June 2004 12:53, you wrote:
> Dear all,
> I've tried to make a simulation with ammonia and used PSFGEN to
> produce the PSF file. But now I have the problem, that there is no
> definition for ammonia in the CHARMM Topology File. I would like
> to now if there is a solution to produce this entry without using
> programs like X-Plor or if there is a CHARMM Topology File for
> download which contains entries for ammonia. Thanks for all, Marek.
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