[AMBER] charge of aminoacids in an special pH

From: Atila Petrosian <atila.petrosian.gmail.com>
Date: Tue, 28 Jun 2016 11:48:01 +0430

Dear Gromacs users,

I want to study MD simulation of my protein in an special pH (2).

I want to investigate partially unfolding in this protein.

How to set charge of aminoacids in pdb file, prior to start MD?

Any help will highly appreciated.

Best
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 28 2016 - 00:30:02 PDT