[gmx-users] Warning errors
malvezzi at iq.usp.br
Thu Sep 22 20:37:13 CEST 2005
I have the same kind of errors, but my system crashes after a few steps.
I dont know what is happening.
I also would be happy with some light in the subject.
Hector Mtz-Seara wrote:
> Dear users,
> I am simulating a monolayer system and after preparation ->
> minimization, at the beginning of the simulation I get the following
> Step 1, time 0.002 (ps) LINCS WARNING
> relative constraint deviation after LINCS:
> max 0.131090 (between atoms 3748 and 3749) rms 0.002769
> bonds that rotated more than 30 degrees:
> atom 1 atom 2 angle previous, current, constraint length
> After 5 of them they disappear for the rest of the dynamic. My
> question is if might I be concerned for that or I can Ignore them as
> they have disappeared?.
> Thanks in advance.
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