Thank you.
On Thu, Jul 18, 2019 at 9:43 AM Justin Lemkul <jalem...@vt.edu> wrote: > > > On 7/17/19 8:39 PM, Myunggi Yi wrote: > > Dear users, > > > > I want to run a simulation with a polarizable force field. > > > > How and where can I get Drude force field for the current version of > > Gromacs? > > Everything you need to know: > > http://mackerell.umaryland.edu/charmm_drude_ff.shtml > > The implementation is not complete. If your system has ions, do not use > GROMACS due to the lack of NBTHOLE. In that case, use NAMD, CHARMM, or > OpenMM. The Drude model is still considered experimental, hence it is > not officially supported yet. There have been a lot of snags along the > way (mostly in my time to get the code up to par for official inclusion). > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * 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-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * 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-requ...@gromacs.org.