[gmx-users] Vritual Sites and simulation time-step
mark.j.abraham at gmail.com
Thu May 30 10:11:09 CEST 2013
On Thu, May 30, 2013 at 7:05 AM, James Starlight <jmsstarlight at gmail.com>wrote:
> Dear Gromacs users!
> In some discussions I've noticed that people told about usage of virtual
> sites which allow to increase time step of the simulation of such systems.
> >From manual and tutorial its not quite understand for me how with
> of such dummy atoms (which can be used to reduce number of atoms of the
> some solvent-like molecule or to mimic electron pairs in the water for
> instance) influence on time-step can be achieved ?
> gmx-users mailing list gmx-users at gromacs.org
> * 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users