Re: NPT simulations in NAMD

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Apr 05 2011 - 08:09:26 CDT

On Tue, Apr 5, 2011 at 8:31 AM, Hasan haska <hasanhaska_at_yahoo.com> wrote:
> Dear NAMD users,
>
> Is it possible to run NPT simulations in NAMD when the bond lengths are
> constant ? And I also searched some referance .conf files that use

yes.

> Berendsenís method. But I didnít find any example conf file. Could you
> please help me about getting some conf files in order to perform constant
> pressure simulations using Berendsenís method †?

what is wrong with looking up the flags you need in the user's guide?

axel.

>
>
> Thanks a lot.
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.comhttp://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:23:47 CST