I was having the same problem. The atoms in topology and gro were same and this error was there. By increasing box size the problem was resolved. What would be tge reason for that.?
On 27 Jan 2017 22:30, "Justin Lemkul" <jalem...@vt.edu> wrote: > > > On 1/27/17 11:48 AM, Tasneem Kausar wrote: > >> Increase your box size. >> >> > Changing the box will not solve this issue. If you make a mismatched > system bigger, it's still mismatched. > > -Justin > > On 27 Jan 2017 22:15, "Poncho Arvayo Zatarain" <poncho_8...@hotmail.com> >> wrote: >> >> >>> >>> Hello: according to the queshere abouttion and the answer send me here >>> about gro (58674) file does not mtch with the topology (58666), i checked >>> my gro file at the top corner on the left and said 58674, and at the end >>> of >>> the file the number of molecules is the same, 58674. i used TIP3 model >>> and >>> 2 phospholipids: 26 dppe and 230 dppe also 8960 of TIP3. >>> My top file is >>> : Include forcefield parameters >>> #include "toppar/charmm36.itp" >>> #include "toppar/compound.itp" >>> #include "toppar/DPPC.itp" >>> #include "toppar/DPPE.itp" >>> #include "toppar/TIP3.itp" >>> >>> [System] >>> : Name >>> Title >>> >>> [Molecules] >>> : Compound #mols >>> COMPOUND 72 >>> DPPE 230 >>> DPPC 26 >>> TIP3 8960 >>> -- >>> 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. >>> >>> > -- > ================================================== > > 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.
