[gmx-users] powercut command

[Mark Abraham]

Hi,

On Thu, Apr 13, 2017 at 7:43 AM Anshul Lahariya <anshullahariya17 at gmail.com>
wrote:

> My md was running. Suddenly power supply was cuts due to some reason and my
> my MD stops..
> To continue my MD, I use command:-
>

Use the same command, but add -cpi whatever.cpt


>
>
> gmx mdrun -v -s 10ns.tpr -e 10ns.edr -g 10ns.log -10ns.xtc -cpi 10ns.cpt
> -cpo 10ns.cpt -append
>
>
>
> but shows error.
>
>
> Error in user input:
> Invalid command-line options
>     Unknown command-line option -md_1_0.xtc
>

That message does not look like it came from the previous command. Please
copy and paste actual matching input and output. Anyway, "-10ns.xtc" should
be "-x 10ns.xtc" or maybe "-o 10ns.xtc." But if you want all the files to
have the same name of your choosing, that is what "-deffnm 10ns" is useful
for.

Your subsequent problem with LINCS is simply that your system isn't yet
stable, ie is http://www.gromacs.org/Documentation/Terminology/Blowing_Up and
you should consider the solutions there.

Mark


> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> [root at dhcppc58 AhpE_MSH]#
>
>
>
> Plzz.. help me out....
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