[gmx-users] Umbrella Sampling question

Ilya Chorny ichorny at maxwell.compbio.ucsf.edu
Wed Feb 9 00:13:21 CET 2005

Use the distance restraint potential. That's what I do.


Ilya Chorny Ph.D.
Alfred P. Sloan Foundation Postdoctoral Fellow
Department of Pharmaceutical Chemistry
University of California, San Francisco
San Francisco, CA 94143
Direct: (408)887-8496
Work: (415)476-6875

On 2/8/05 2:05 PM, "Adrian Gustavo Turjanski" <adrian at qi.fcen.uba.ar> wrote:

> Hi,
> I would like to do an Umbrella Sampling simulation, but instead of
> maintaining the position of the pulled group relative to the reference
> the group,
> I would like to maintain the distance between the pulled group and the
> reference group. Can I do this with gromacs?
> Adrian

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