AMBER Archive (2007)

Subject: RE: AMBER: Ionic strength in pbsa

From: Hu, Shaowen (JSC-SK)[USRA] (Shaowen.Hu-1_at_nasa.gov)
Date: Tue May 22 2007 - 15:29:02 CDT

Thanks a lot.

Shaowen

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
Of Qizhi Cui
Sent: Tuesday, May 22, 2007 3:21 PM
To: amber_at_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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