Re: [gmx-users] Continue run in Gromacs-4 with check point file

xuji wrote: > Hi all: > > > > I wrote an e-mail many days ago about continuing run in Gromacs-4.0 with > check point file. But I can't solve this problem yet. > I run a simulation with > mpiexec -machinefile ./mf_24 -np 24 mdrun -v -append -cpt 5 -cpi > dppc_md_prev.cpt -cp

[gmx-users] Continue run in Gromacs-4 with check point file

Hi all: I wrote an e-mail many days ago about continuing run in Gromacs-4.0 with check point file. But I can't solve this problem yet. I run a simulation with mpiexec -machinefile ./mf_24 -np 24 mdrun -v -append -cpt 5 -cpi dppc_md_prev.cpt -cpo dppc_md.cpt -s dppc_md.tpr -o

Re: [gmx-users] Continue run

Dňa Št 7. September 2006 15:27 Navratna Vajpai napísal: > Dear All.. > to continue the run, as i understood, I modified the md.mdp and then > use the .tpr and .trr for the further run. Can anyone suggest that it > is the right way or not? actually in one of the tutorials note i have > just found to

[gmx-users] Continue run

Dear All..to continue the run, as i understood, I modified the md.mdp and then use the .tpr and .trr for the further run. Can anyone suggest that it is the right way or not? actually in one of the tutorials note i have just found to change the options as -time $value -until $value. I was wondering