Hi wei,
Thanks.
can we get this output using amber9?
jack...
________________________________
From: Wei Huang <whuang.cct.lsu..edu>
To: AMBER Mailing List <amber.ambermd.org>
Sent: Monday, 4 May, 2009 8:28:26 PM
Subject: RE: [AMBER] MMPBSA- interaction energy for every frame
Hi Jack,
Yes. After the MM-PBSA calculation, you will find a file name snapshot_statistics.out.snap. It has the information you need.
Cheers,
Wei
-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf Of Jack Colis
Sent: Monday, May 04, 2009 9:39 AM
To: amber.ambermd.org
Subject: [AMBER] MMPBSA- interaction energy for every frame
Dear amber users,
is it possible to get the binding energy from MM-PBSA for every frame instead of average from all over the frames?
thanks...
jack.
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Received on Wed May 20 2009 - 14:40:17 PDT
