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.
