[gmx-users] time step in coarse-grained

Steven Neumann s.neumann08 at gmail.com
Tue Dec 17 19:25:49 CET 2013


Dear Gmx Users,

I have built a coarse grained force field from scratch for my specific
protein. I wish to increase the time step, to see how much I can push it.
How can I assess it to see whether I did not go over given value as its
sure system specific. Would advise of some properties? Its a random coil so
maybe its good to compare its distrbution with 2, 4, 6, 8 fs etc? Is that
reasonable?

Steven


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