AMBER: minimization with my own charges

From: Myunggi Yi <myunggi.gmail.com>
Date: Thu, 31 Aug 2006 18:01:24 -0400

Dear Amber users,

I want to minimize a structure with my own charges for some residues.
I think a simple way to assign my charges is using free energy perturbation.

I don't want the free energy calculation.
I will do only minimization with the perturbed charges.

It seems amber 9 is different from amber 7.

Would you suggest some idea? 


-- 
Best wishes,
MYUNGGI YI
==================================
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306
Office: (850) 645-1334
http://www.scs.fsu.edu/~myunggi
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Received on Sun Sep 03 2006 - 06:07:16 PDT
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