On 8/20/15 4:01 PM, 折晓会 wrote:
Thank you professor Justin! I solved this error with your suggestion. When I use mdrun -rerun to calculate the local pressure, another error occurs: Fatal error: Rerun trajectory frame step 600000 time 600.000000 has too small box dimensions What does this mean?
It means your box is too small. What are the box dimensions in that frame, and what are the cutoffs you are using?
-Justin -- ================================================== 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.
