[gmx-users] Flat-bottomed potential from user-defined reference
Vitaly V. Chaban
vvchaban at gmail.com
Tue Nov 3 11:48:20 CET 2015
Gromacs uses restraints to keep molecules near their original positions.
See the manual.
On Tue, Nov 3, 2015 at 8:24 AM, Cosseddu, S.M. <s.m.cosseddu at vu.nl> wrote:
> Dear all,
> I am trying to apply a spherical flat-bottomed potential to maintain some
> molecules within a certain region. By default, GROMACS uses the initial
> coordinates as reference. Is there any way to provide different references?
> Many thanks
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users