[gmx-users] how to transform the opls torsional angles parameter to Ryckaert-Bellemans form
fit_tone at 163.com
Tue Mar 15 08:28:32 CET 2005
i was trying to transform the opls torsional angles parameter to Ryckaert-Bellemans form according to the formula(4.60) in gromacs 3.2 manu. Unfortunately,
the coefficients V1 V2 V3 is known while V0 not. So i could not achieve such a transform and came for help, Is there some people who can help me, please give some advice.
thank you in advance!
Zhou Jin ming
Shanghai Institute of Organic Chemistry
Computational Chemistry Lab
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