Thanks a lot.
Shaowen
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
Of Qizhi Cui
Sent: Tuesday, May 22, 2007 3:21 PM
To: amber.scripps.edu
Subject: Re: AMBER: Ionic strength in pbsa
Hi Shaowen,
I noticed this problem before. I traced down the source code and found
that in the mm-pbsa input file, "ISTRNG" should be replaced by "SALT".
Qizhi
> Dear All,
>
> Anybody know whether the ionic concentration has been considered in
> the pbsa suite of AMBER9? I changed the "ISTRNG" but got no change in
> the ouput. Thanks.
>
> Shaowen Hu, Ph.D.
> Research Scientist
> USRA Division of Space Life Sciences
> 3600 Bay Area Blvd., Houston, TX 77058, USA
> Phone: 281-483-1163
> ----------------------------------------------------------------------
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Received on Wed May 23 2007 - 06:07:42 PDT
