Re: rigid bonds

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Oct 14 2011 - 09:27:34 CDT

On Fri, Oct 14, 2011 at 10:24 AM, Francesco Pietra
<chiendarret_at_gmail.com> wrote:
> Hello:
> With namd 2.8 running amber ff, is "rigidBonds water" a valid flag?

why should it not?

axel.

>
> #*** Integrator ********************************************
> timestep                           2.0
> rigidBonds                         all # needed for 2fs/step
> # rigidBonds                     water # if 1fs/step
> rigidTolerance                   1e-08
>
> Thanks
> francesco pietra
>
>

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

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:54 CST