hello everyone thanks justin it works but problem is at the same place even one more problem ligand is out side the protein and protein is out side the popc kindly help
On Sat, Jul 19, 2014 at 7:39 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 7/19/14, 9:56 AM, RINU KHATTRI wrote: > >> hello everyone >> >> i know justin -D is for minim.mdp not for topology i used simply D >> > > That's still wrong. There should be no "D" or "-D" in the #ifdef > statement; it's cpp macro syntax. Please look at the block I provided > before: > > > #ifdef STRONG_POSRES > #include "strong_posre.itp" > #endif > > Use it exactly. Copy and paste it. Invoke it with "define = > -DSTRONG_POSRES" > > > -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. > -- 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.
