[gmx-users] Fatal error when position restraint the coordinates-reg

Mark Abraham Mark.Abraham at anu.edu.au
Wed Aug 31 03:54:29 CEST 2011


On 31/08/2011 11:50 AM, ITHAYARAJA wrote:
> Dear sir,
>
> I found the following error, when I did the position restraint the 
> coordinates after grompp.....
>
> Fatal error:
> Too many LINCS warnings (1347)
> 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
>
> guide me to address this error...

There was probably a URL with the error - did you check that out? See 
http://www.gromacs.org/Documentation/Errors#LINCS.2fSETTLE.2fSHAKE_warnings

Mark



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