[gmx-users] Lysozime in Water

jkrieger at mrc-lmb.cam.ac.uk jkrieger at mrc-lmb.cam.ac.uk
Wed Oct 30 11:59:06 CET 2013

Yes, I would use the same command to continue the simulation after
stopping with the addition of -cpi

Every time a .cpt is made, the previous one is renamed _prev.cpt so that
you can still get it in case something happened in between the two.
Normally I would use the .cpt but if that doesn't work then try the

I think someone already replied to this question but I guess that didn't
help enough. Hopefully this reply does.

> 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
> Negar
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