AMBER Archive (2009)

Subject: [AMBER] REMD

From: Shaikh Abdul R S Ramaju (smasarsr_at_nus.edu.sg)
Date: Tue Jun 23 2009 - 00:32:34 CDT

Dear Amber Users,

 

I am trying to use the Replica exchange molecular dynamics for the
protein molecule. Total charge on the system is -3.00. Do I need to
neutralize the charge before creating topology file or I can use it as
such?

 

Thanks a lot

 

Regards

Abdul Rajjak

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