Energy computation

Chung Yuk Ka yukkachung at cuhk.hk
Wed Sep 20 01:19:59 EST 1995


Hello, is there anybody familiar with BioSym here ?
I am now using this software to do a protein folding research.
Since I will use my own algorithm, I should write my own program.
So what I should use is the Open-Interface. But now I am facing the
problem of interface : how to interface with the Discover program ?
I need an energy computation function for calculating the potential
energy of a molecule with a particular conformation, including
the bond, and no-bond energy. I have been stucked in this problem for
two months. Could somebody kindly help me in solving this problem ?

Thank you for your kindly consideration.

Best Regards,
Chung Yuk Ka
(Johnnie Walker)



More information about the Proteins mailing list