[gmx-users] Dihedral time of circulation

Bjelic Sasa Sasa.bjelic at psi.ch
Fri Jan 29 17:41:34 CET 2010

Dear GROMACS users,

I have a question about dihedral time of circulation: what is the typical time for a rotation of 360 deg of an unconstrained dihedral in the side chain of an amino acid at 300K ? For example dihedral rotation of MET side chain in a ALA-MET-ALA side chain. A use OPLSAA/tip4p FF.

Many thanks


Saša Bjelic, PhD
Structural Biology and Biophysics
Life Science, OFLC 105
CH-5232 Villigen PSI

Phone:  +41-(0)56 310 5295
Fax:    +41 56 310 5288


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