unless your pc is kidding you, there is a problem with index group assignment.
Dr. Vitaly V. Chaban On Sat, Jul 19, 2014 at 3:56 AM, ANDRES ADOLFO ORTEGA GUERRERO <andres.ort...@correounivalle.edu.co> wrote: > Hi dear Gromacs users, i would like to report something maybe could be a > bug or a mistake of me , you´ll see, i run an MD of a System with CNT > Protein Water and ions, i use a index.ndx file, my CNT doestn´t have any > charges, but when i check the Coul SR CNT-CNT there were really huge, > > so i start a process and run different MD in order to get the problem, and > , the only way i could Coul SR CNT-CNT 0 as is supposed to be, was when i > do not use an index file, > with different simulation where i use the index.ndx file, my energy are > different , > > Thank You > > Andres > -- > 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.
