[gmx-users] RE: Umbrella Sampling

Vitaly Chaban chaban at univer.kharkov.ua
Mon Aug 4 11:02:17 CEST 2008

Hi Alexandr,

Have you thoroughly examined this thread as for using umbrella sampling:
http://www.gromacs.org/pipermail/gmx-users/2005-December/018615.html ?

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

>Hi all,
>I have a big broblem, I want use Umbrella Sampling to constrain distance
>between two groups of atoms, but after reading manual I don't understant how
>to do it. In manual I found information only about fixing coordinates. Can
>someone tell me how to do it.
>Sorry for my bad english.

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