[gmx-users] potential energy =nan
omovie_johnnie at hotmail.com
Wed Jun 20 14:34:37 CEST 2007
I am doing an Energy Minimisation run for two polypeptides in a box. I get
the range checking error, variable ci= .... and the simulation crashes.
After changing ns_type to simple, the simulation is running, but very slowly
and the first few steps return Epot=nan.
What could I have done wrong?
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