[AMBER] Is the neutralization necessary for the GB model?

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: zhihong ke <ebelleke.gmail.com>
Date: Mon, 7 Mar 2011 14:24:19 -0700

Dear All,

Is the neutralization necessary for the GB model? In the tutorial B1, it is
suggested to neutralize the system for the implicit water model. If so, a
neutral system should be used to run REMD simulations, correct?

Any help would be appreciated!

Regards,

Zhihong
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 07 2011 - 13:30:04 PST