[gmx-users] RE: Umbrella Sampling

[Vitaly Chaban]

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.