[gmx-users] powercut command

Anshul Lahariya anshullahariya17 at gmail.com
Thu Apr 13 11:54:08 CEST 2017


error says, xtc file is not used for this option . plzz use trr, cpt, tng


help me out

On Thu, Apr 13, 2017 at 11:29 AM, Amir Zeb <zebamir85 at gmail.com> wrote:

> please put this command line
> gmx mdrun -v -s xxx.tpr -c xxx.gro -g xxx.log -e xxx.edr -cpi xxx.cpt -o
> md_1_0.xtc
>
> good luck
>
> On Wed, Apr 12, 2017 at 10:42 PM, 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:-
> >
> >
> > 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
> >
> > 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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