>>Zack Scholl wrote: >> Hi all- >> >> Is it possible to freeze a group of atoms only partially in a >> direction? For instance, could I freeze a group inside a box of a >> definite size? >> >>
> Not by defining a box, as such, but you can freeze any subset of atoms with a > suitable index file that defines the desired freezegrps. > > -Justin I'm sorry, I didn't phrase my question clearly. Can I set a group so that it can move - but only within a specified region? Or, even better, possibly attach some group to a strong spring that does not allow it to move very far, but does not completely restrict the motion of the group? I don't want to use freezegrps because it would completely restrain the position of an atom- but I would like to restrain the movements of the atom to within a defined region (e.g. a small box). Thanks, Zack -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
