[gmx-users] lincs error

[Beniamino Sciacca]

Hi!
this is my problem: after a few step (from 1 to 20) mdrun stops because 
of  lincs
"...LINCS WARNING - Relative constraint deviation after lincs: max 
103.684275 (between atoms 7941 and 7942) rms 1.227871 bonds that rotated 
more than 180 degrees......."
7941 e  7942 should be two water atoms.
There are more than one WARNING....
If I use a smaller time step (1fs instead of 4 fs or 2 fs) there is no 
problem, and it works well!
What can I do?
Beniamino