[gmx-users] Lysozime in Water

[jkrieger at mrc-lmb.cam.ac.uk]

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
_prev.cpt

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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>