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 -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ 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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