Ok.Thanks!
On Wed, Jun 4, 2014 at 6:47 AM, Praveen Kumar <pravink...@gmail.com> wrote: > Harshkumar, > > If you are using NPT ensamble, volume will not fix. After some time as box > length decrease than cut-off, you will get such type of error. You can > increase number of water molecules or decrease cut-off. > > > On Wed, Jun 4, 2014 at 4:06 PM, Harshkumar Singh <harshsingh2...@gmail.com > > > wrote: > > > I have been doing simulation of 216 SPC molecules with cubic box > dimension > > 3 nm.I have set the cut off at 1.2 nm but I get this error during mdrun > > > > one of the box vectors has become shorter than twice the cut-off or > > box_yy-|box_zy| or box_zz has become smaller than the cut-off error > > > > The box vector is greater than double than twice the cut-off but I don't > > seem to understand the other possible errors.How can I resolve them? > > -- > > Harshkumar Singh > > 2nd Year Integrated MSc Chemistry > > IIT Bombay. > > -- > > 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. > > > > > > -- > PRAVEEN KUMAR > Research scholar > INDIAN INSTITUTE OF SCIENCE > EDUCATION AND RESEARCH PUNE > -- > 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. > -- Harshkumar Singh 2nd Year Integrated MSc Chemistry IIT Bombay. -- 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.
