[gmx-users] how to transform the opls torsional angles parameter to Ryckaert-Bellemans form

[Pawan Babel]

Refer to page-62 of the gromacs manual.


Regards
Pawan Babel
Bio-Physical Lab
Dept. Of Chemistry
IIT Bombay

On Tue, 15 Mar 2005, [gb2312] zjim wrote:

> Hi everybody
> 
> 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
>