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
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