[gmx-users] Water molecule can't be settled
tanos at ime.eb.br
Fri Jul 9 16:07:58 CEST 2004
I am facing a strange problem: Some of my MD simulations are stopping
with a mesage like this:
"t = 70.006 ps: Water molecule starting at atom 75402 can not be
settled. Check for bad contacts and/or reduce the timestep. Wrote pdb
files with previous and current coordinates"
In a first inspection I didn't find out any bad contatc.
Have someone already faced such a problem and knows the best way to
solve it ??? Way this problem didn't happened in the PR simulation I've
done before MD ???
Thanks in advance !!!!
Tanos C. C. Franca
Rio de Janeiro - RJ
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