[gmx-users] Dihedral time of circulation

[Bjelic Sasa]

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


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

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

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