Dechang Li wrote: > Dear all, > > I want to do a simulation using Umbrella Sampling. It was said > that 'the position of the pulled group relative to the reference group' > of the options 'pos1'. If I don't want to restrain the position of > the pulled group but to restrain the distance between the pulled group > and the reference group. How can I achieve it using Gromacs-3.3.1? I think the "the position of the pulled group relative to the reference group" actually means the "distance between the pulled group and the reference group", so, that's just what you want, isn't it?
Jochen -- ************************************************ Jochen Hub Max Planck Institute for Biophysical Chemistry Computational biomolecular dynamics group Am Fassberg 11 D-37077 Goettingen, Germany Email: jhub[at]gwdg.de ************************************************ _______________________________________________ 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
