[gmx-users] powercut command

[gozde ergin]

Lincs warning usually occurs for the system that not minimized.
You can try to minimize your system before running the real simulation.

Other option would be use -maxwarn flag but please use it only if you know that these warnings are not important. 


> On 13 Apr 2017, at 11:10, Anshul Lahariya <anshullahariya17 at gmail.com> wrote:
> 
> 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....
>>>> --
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>>> 
>>> 
>>> 
>>> --
>>> 
>>> Regards,
>>> 
>>> Devashish Das
>>> --
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>> 
>> 
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