2008/8/4 Vitaly Chaban <[EMAIL PROTECTED]>
> 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. > Yes, I read this thread, but Oliver use umbrella only in one direction. I want use umbrella potential independed of x,y,z coordinates separately, depended only of distance between centers of mass of particles.
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