[gmx-users] Re: gmx-users Digest, Vol 23, Issue 99

hayagreevan R smilidon at mail2Cool.com
Fri Mar 31 18:47:41 CEST 2006


hi all,
my gromacs is giving me this LINC ERROR.i found in the mailing list
about this and found two suggestion, one to define it as dflexible and
another to increase the tau_p to 20(my initial was 0.5).I did increase
it step by step in some 20 runs, still the problem persists.the LINC
error is right from 0th step.Can any one help me out on this.
here are my pr.mdp and md.mdp files,
thanks in advance,
cheers
hayagreevan




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