[gmx-users] Warning errors
Hector Mtz-Seara
h.seara at qf.ub.es
Thu Sep 22 09:59:12 CEST 2005
Dear users,
I am simulating a monolayer system and after preparation ->
minimization, at the beginning of the simulation I get the following
warning:
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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