[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
pr_log
-------------------------------------------------------
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
problem.
Then we tried by changing the Berendsen temp coupling with
Nose-Hoover temp coupling also the pme_order 6 to lower
values.
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.
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