[gmx-users] lambda

özge kül ozgekul8233 at yahoo.com
Sat Apr 14 22:40:15 CEST 2007

Hi everybody,
  I  try to  calculate a protein which has two chains.This chains  has sulphide bridges between eachother.I used -merge in pdb2gmx.I calculated for 20ns.I said free energy:no.
  But I got this error:
  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.
I looked at mailing list.Idecided to change delta-lambda=0.00002 
  Can anyone help me about this?
  Thank you

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