[gmx-users] powercut command

Anshul Lahariya anshullahariya17 at gmail.com
Thu Apr 13 11:10:42 CEST 2017


This is a error that i got during mdrun. plzzz help..



Program:     gmx mdrun, version 2016.2
Source file: src/gromacs/mdlib/constr.cpp (line 167)

Fatal error:
Too many LINCS warnings (1000)
If you know what you are doing you can adjust the lincs warning threshold in
your mdp file
or set the environment variable GMX_MAXCONSTRWARN to -1,
but normally it is better to fix the problem

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
[root at dhcppc58 AhpE_MSH]# Program:     gmx mdrun, version 2016.2


On Thu, Apr 13, 2017 at 12:06 PM, Anshul Lahariya <
anshullahariya17 at gmail.com> wrote:

> Thank u so much
>
> #Devashish Das
>
>
> On Thu, Apr 13, 2017 at 11:30 AM, Devashish_Das <dasdevashishdas at gmail.com
> > wrote:
>
>> Please use to resume:
>>
>> gmx mdrun -v -deffnm 10ns -cpi 10ns.cpt
>>
>>
>>
>>
>> On Thu, Apr 13, 2017 at 11:12 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:-
>> >
>> >
>> > 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....
>> > --
>> > Gromacs Users mailing list
>> >
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>> >
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>> >
>>
>>
>>
>> --
>>
>> Regards,
>>
>> Devashish Das
>> --
>> Gromacs Users mailing list
>>
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>
>


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