[gmx-users] criterion for good sampling

Y. U. Sasidhar sasidhar at chem.iitb.ac.in
Tue Apr 30 06:14:21 CEST 2002

I s there any rule of thumb to ascertain whether conformational sampling in a
MD run is adequate ?
One review article ( by van Gunsteren & Berendsen ) seems to suggest that a
physical property independent of simulation length is a necessary but not
sufficient condition.

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