AMBER Archive (2009)

Subject: Re: [AMBER] MMPBSA- interaction energy for every frame

From: Jack Colis (jackcolis_at_rocketmail.com)
Date: Tue May 05 2009 - 03:22:35 CDT

Hi wei,
Thanks.
can we get this output using amber9?

jack...

________________________________
From: Wei Huang <whuang_at_cct.lsu..edu>
To: AMBER Mailing List <amber_at_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_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On Behalf Of Jack Colis
Sent: Monday, May 04, 2009 9:39 AM
To: amber_at_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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