Re: [AMBER] simulation of protein

From: Gustavo Seabra <>
Date: Fri, 4 Jun 2010 14:34:54 -0300

On Jun 4, 2010, at 1:45 PM, ashutosh shandilya wrote:

> In context of my previous mail the helix is getting unfolded and sometimes
> sheets are disappearing as well because of 2.1ns md simulation in water at
> constant pressure.Which structure shall I take and the reason for unfolding.
> Thanks and regards
> Ashutosh Shandilya
> _______________________________________________
> AMBER mailing list

Adding to Bill's suggestion, it would also help to know which force
fields are you using. did you have to derive force fields for any

Sent from my iPad
AMBER mailing list
Received on Fri Jun 04 2010 - 11:00:04 PDT
Custom Search