[gmx-users] crushing with longer time step
mn2 at hw.ac.uk
Tue Jul 26 19:13:33 CEST 2005
I have a water-vaccumme interface and have been using all-bond constrain
with PME. It has been crushing when I use longer time step which 0.002 ns.
However, it is ok when I use 0.001 ns time step. Is there anyway I can use
longer time step for the system.
I have also been trying to develop decane layer with a particular density.
I am using the file dec50.gro which came with the pakage. I am strugling
to fix the density. Is there any way I can fix the density?
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