AMBER Archive (2006)

Subject: Re: AMBER: minimization with my own charges

From: Myunggi Yi (
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

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