[gmx-users] powercut command

Tasneem Kausar tasneemkausar12 at gmail.com
Thu Apr 13 12:04:59 CEST 2017


please give the exact command and error message.

On Thu, Apr 13, 2017 at 3:30 PM, Anshul Lahariya <anshullahariya17 at gmail.com
> wrote:

> dear das sir,
>
> -cpi was already added to the command but my problem is not solved
>
> On Thu, Apr 13, 2017 at 3:24 PM, Anshul Lahariya <
> anshullahariya17 at gmail.com
> > wrote:
>
> > 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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