On 8/1/14, 6:32 PM, Bin Liu wrote:
Dear everyone, I am having trouble with putting GROMACS 4.6.x and 5 together. If I put these two lines in .bashrc file, source /usr/local/gromacs4.6.5/bin/GMXRC source /usr/local/gromacs5.0/bin/GMXRC The second line will undo the work by the first line, i.e., I can use only gmx order of GROMACS 5 (for example), not g_order of GROMACS 4.6.5 Is there any way to let these two versions work together? Or I should just put both directories in the PATH environment variable? Thanks.
You can have multiple versions installed, but you can't use GMXRC to try to magically configure the environment if you do. Source one, not the other. Even configuring the PATH is not foolproof.
-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 [email protected] | (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 [email protected].
