[gmx-users] Re:Dihedral time of circulation
Sasa.bjelic at psi.ch
Fri Jan 29 20:03:44 CET 2010
perhaps I have to be more clear:
I made I short MD with OPLSAA/tip4p and PME of Gly-Met-Gly. If I plot the CB-CG-SD-CE dihedral on the time scale I get the shortest time for a whole rotation of about 100 fs. So, my question is, if this value is reasonable or not?
I suppose there must be some experimental data or should I expect this time scale.
Saa Bjelic, PhD
Structural Biology and Biophysics
Life Science, OFLC 105
CH-5232 Villigen PSI
Phone: +41-(0)56 310 5295
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