On Sunday, September 4, 2016, Atila Petrosian <atila.petros...@gmail.com> wrote:
> Dear Mark, > > Thanks for your quick answer. > > Now, how to use gromacs 5.1.3 commands? > > The reason of my question: > > There is gromacs 4.5.4 (in /opt/bio directory) in my Rocks cluster system > by default. > > I used source /usr/local/gromacs/bin/GMXRC, > > then > > pdb2gmx > > Unfortunately, pdb2gmx related to gromacs 4.5.4 is run. > > Please guide me to resolve this issue. > > The syntax since version 5.0 is different. Please read the documentation and tutorials for the new version. Several programs have been renamed, as well. -Justin > Best, > Atila > -- > 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 <javascript:;>. > -- ========================================== Justin A. Lemkul, Ph.D. 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 ========================================== -- 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.
