Re: [AMBER] Restrained MD

From: David A Case <>
Date: Tue, 31 Mar 2015 12:01:29 -0400

On Tue, Mar 31, 2015, James Starlight wrote:
> yes
> and what those options from the file are do?
> &wt
> type='DISAVI' istep1=1, istep2=10, value1=0, value2=0.0,
> &end
> here exactly difference between amber 12 and amber 14: because in the
> latter &wt is placed within new disang.rst file in comparison to
> amber-12 (which I'm using!)

Sorry: I might have been confusing before. The &wt namelists go into the
mdin file, where as the &rst namelist go into the DISANG file.

See the examples in $AMBERHOME/test/nmr.


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Received on Tue Mar 31 2015 - 09:30:03 PDT
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