Exactly. So is there any chance to circumvent the problem?
Function type Fourier Dih. not implemented in ip_pert Dr. Vitaly V. Chaban On Mon, Mar 31, 2014 at 5:49 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 3/31/14, 11:35 AM, Dr. Vitaly Chaban wrote: >> >> Since I do not couple intramolecular interactions, why those dihedrals >> play any role? >> > > The couple-intramol option only applies to intramolecular nonbonded > interactions. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== -- 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.
