[gmx-users] powercut command

[Tasneem Kausar]

gmx mdrun -v -s 10ns.tpr -e 10ns.edr -g 10ns.log -10ns.xtc -cpi 10ns.cpt
-cpo 10ns.cpt -append
There is problem in the command that you have given in your first mail.

gmx mdrun -v -s 10ns.tpr -e 10ns.edr -g 10ns.log -x 10ns.xtc -cpi 10ns.cpt
-append

You did not provided the -x flag. This was the reason for error

On Thu, Apr 13, 2017 at 3:34 PM, Tasneem Kausar <tasneemkausar12 at gmail.com>
wrote:

> 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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>
>