[gmx-users] Nonzero phase angles

[molashahimaryam at aut.ac.ir]

​Dear all
How can I translate the OPLS parameters to Ryckaert-Bellemans parameters (C0,C1,C2,C3,...) when the phase angles (f1,f2,f3,f4) are not zero.


V=V0/2+V1/2(1-cos(Q-f1))+V2/2(1-cos(Q-f2))+V3/2(1-cos(Q-f3))+V4/2(1-cos(Q-f4))

Many thanks





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