AMBER Archive (2006)Subject: Re: AMBER: minimization with my own charges
From: Myunggi Yi (myunggi_at_gmail.com)
Date: Thu Aug 31 2006 - 18:13:29 CDT
Can I do this way.
I load my system, a normal protein with nomal amino acids.
I will change the charges of 5 side chains of them.
(where using xleap by changing the charge not deltacharge)
then "saveamberparm".
Of course, if I save the .lib file, I can reload and reuse it.
Can I do this way?
--
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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