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.
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