[gmx-users] Fatal error:;Too many LINCS warnings (10716)

E.Elavazhagan elavv at bioinfo.sastra.edu
Tue Nov 28 06:46:57 CET 2006

Hai folks,
Thanks for ur previous valuable suggestions.

On executing the mdrun command we get the following error.
  mdrun -v -s pr -e pr -o pr -c after_pr -nice +5 -g 

Program mdrun, VERSION 3.3.1
Source code file: clincs.c, line: 559

Fatal error:
Too many LINCS warnings (10716) - aborting to avoid 
logfile runaway.
This normally happens when your system is not sufficiently 
equilibrated,or if yo
u are changing lambda too fast in free energy simulations.
If you know what you are doing you can adjust the lincs 
warning threshold
in your mdp file, but normally it is better to fix the 

Then we tried by changing the Berendsen temp coupling with 
Nose-Hoover temp coupling also the pme_order 6 to lower 

On the manual 3.2 the lamda value is in the range of 0.8to 
1.25.Let us come to know where can we do these lamda 
alternation or how to tackle this problem .Herewith I have 
attached my pr.mdp file for ur kind glance.

More information about the gromacs.org_gmx-users mailing list