How about using the last .gro file to continue your simulation?
2010/6/24 张春雷 <chunleizhang....@gmail.com> > Dear GMX-users, > > This is Justin. > I am performing coarse-grained simulation on a protein-lipid bilayer > system. This is a MARTINI CG model. > I have successfully completed a 360ns simulation, during which the time > step is 30 fs. > > I would like to extend the simulation to 1micro-second. The commands I used > are: > > $tpbconv_mpi_d -s md_360ns.tpr -extend 360000 -o md_720ns.tpr > > $mdrun_mpi_d -s md_720ns.tpr -append -e md_360ns.edr -o md_360ns.trr -g > md_360ns.log -cpi state.cpt > > However, I received the following message: > > Checkpoint file is from part 1, new output files will be suffixed part0002. > Getting Loaded... > Reading file md_720ns.tpr, VERSION 4.0.3 (double precision) > > Reading checkpoint file state.cpt generated: Mon Jun 14 09:48:10 2010 > > Loaded with Money > > starting mdrun 'Protein in POPE bilayer' > 24000000 steps, 720000.0 ps (continuing from step 12000000, 360000.0 ps). > step 12000000, remaining runtime: 0 s > p0_6991: p4_error: interrupt SIGSEGV: 11 > > I have searched the mail-list, but found no similar report. I also search > through google, but no answer seems satisfactory. > > I once performed extending simulation for all atom simulation, and the > method mentioned above worked. > > Is anyone familiar with MARTINI CG simulation? > Could you give me some suggestions? > > Many thanks! > > Justin > > -- > 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/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/mailing_lists/users.php >
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