Dear All,
I use the "dihedral" command to do the calculation. I am just wondering how to define the negtive and positive angle value in the Ptraj program. Since in my calculation, these 2 dihedral angles should be in the diferent direction, it means one prefers negtive value, the other one is opposite. But from my calculation results, it is almost the same, I mean both of them are positive. Is there someone know how to make it in a correct way? Thanks a lot!
Esther B.
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Received on Sun Dec 03 2006 - 06:07:58 PST
