Re: [gmx-users] Syntax to use gmx convert-tpr

On 6/8/15 10:10 AM, Zhang, Cheng wrote: Dear GROMACS experts, Can I ask if the following commandlines are correct for extending simulations? gerun convert-tpr -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.tpr The command is gmx convert-tpr and it is not parallelized. You do not

[gmx-users] Syntax to use gmx convert-tpr

Dear GROMACS experts, Can I ask if the following commandlines are correct for extending simulations? gerun convert-tpr -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.tpr gerun mdrun_mpi -deffnm md_0_1 -cpi md_0_1.cpt -maxh 0.5 -append (My job.sh can be found at