Dear Gromacs users Hello, I use gromacs version 4.5.5. I have started with Lysozime in water simulation. (Justin tutorials) The md part of simulation was terminated. Now I want to continue the simulation from the interruption point. Is this command line correct? mdrun -deffnm md_0_1 -s md_0_1.tpr -cpi md_0_1.tpr.cpt???
I am not sure whether to use only -cpi md_0_1.tpr.cpt with mdrun command or both .tpr and .cpt files??? another question is that whether continuing the simulation should be done via file md_0_1.tpr.cpt or md_0_1.tpr_prev.cpt ? and what in the difference between them? Thanks in advance Regards D.M -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
