Re: AMBER: minimization with my own charges

From: Myunggi Yi <>
Date: Thu, 31 Aug 2006 19:13:29 -0400

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,
KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306
Office: (850) 645-1334
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Received on Sun Sep 03 2006 - 06:07:17 PDT
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