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: [EMAIL PROTECTED] 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. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
