Vikas,
Well if that's the case, you'll have to redo the explicit water simulation
then ...
All the best,
Ray
==========================================
Ray Luo, Ph.D.
Associate Professor
Dept Molecular Biology & Biochemistry
University of California, Irvine, CA 92697
USPS: PO Box 3900 Email: rluo.uci.edu
Phones: (949) 824-9528, 9562
Web: http://rayl0.bio.uci.edu/
==========================================
-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf
Of Vikas Sharma
Sent: Saturday, May 09, 2009 12:19 AM
To: AMBER Mailing List
Subject: Re: [AMBER] Error in binding energy (MM PBSA)
Dear Ray Luo..
Thanks for the reply....
I checked the movie of my production runs and found that the bonds have
stretched towards the edge of the water box...
what should i do now?
thanks
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Received on Wed May 20 2009 - 15:24:08 PDT
