[gmx-users] constrain pulling

Carsten Kutzner ckutzne at gwdg.de
Tue Aug 12 13:37:12 CEST 2014


http://manual.gromacs.org/online/mdp_opt.html#pull

and see page 152 of the 4.6 PDF manual

Carsten


On 12 Aug 2014, at 13:30, Lalita Shaki <lalitashaky at gmail.com> wrote:

> Hi everyone,
> 
> I am interested in performing some pulling simulations with pull=constraint
> but I am not sure how this code works. Can someone tell me where I can find
> some information about it.
> 
> Thank you
> 
> Lalita
> -- 
> Lalita S. Uribe.
> European Master in Theoretical Chemistry and Computational Modeling.
> PhD student. Johannes Gutenberg-Universität Mainz
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/grubmueller/kutzner
http://www.mpibpc.mpg.de/grubmueller/sppexa



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