[gmx-users] compressibility chloroform?
zoon at science.uva.nl
Wed Mar 17 16:27:00 CET 2004
I'm running a simulation of a rotaxane in acteonitrile everything
works out fine, but when I change to chloroform (I downloaded the
files from gromacs website) the simulation crashes almost instantly.
The pressure scaling exceeds 1%..
The compressibilty is set to 4.5e-5 is this also correct for chloroform?
If this is the correct, does anyone has suggestions why this
simulation crashes immediately and the one with MeCN are running just
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