thanks Justin. On 8 Mar 2017 13:09, "Justin Lemkul" <jalem...@vt.edu> wrote:
> > > On 3/8/17 8:06 AM, Merril Mathew wrote: > >> I dont know what I am doing wrong. There is no Box-X or Box-Y when >> prompted. These are the list I get: >> ----------------------------------------------------------------- >> 1 Angle 2 Proper-Dih. 3 Ryckaert-Bell. 4 >> Improper-Dih. >> 5 LJ-14 6 Coulomb-14 7 LJ-(SR) 8 >> Disper.-corr. >> 9 Coulomb-(SR) 10 Coul.-recip. 11 Potential 12 >> Kinetic-En. >> 13 Total-Energy 14 Conserved-En. 15 Temperature 16 >> Pres.-DC >> 17 Pressure 18 Constr.-rmsd 19 Vir-XX 20 >> Vir-XY >> 21 Vir-XZ 22 Vir-YX 23 Vir-YY 24 >> Vir-YZ >> 25 Vir-ZX 26 Vir-ZY 27 Vir-ZZ 28 >> Pres-XX >> 29 Pres-XY 30 Pres-XZ 31 Pres-YX 32 >> Pres-YY >> 33 Pres-YZ 34 Pres-ZX 35 Pres-ZY 36 >> Pres-ZZ >> 37 #Surf*SurfTen 38 T-DPOPG_OPO 39 T-SOL_Ion >> >> 38 and 39 are the coupling groups I used. >> > > If there is no option to select box vectors, then your simulation was NVT > and by definition the box vectors don't vary and your membrane area is > constant. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > 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. > -- 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.