AMBER: definition of dihedral in amber

From: Jeffrey <jeffry20072008.yahoo.cn>
Date: Thu, 25 Dec 2008 23:38:38 +0800

Dear all,

      I am going to write a fortran program to evaluate the torsional energy of each dihedral in a molecule. Could someone tell me how the dihedral is defined as in the following equation:
Et=pk*(1+Cos(pn*phi-phase))

I noticed that dihedral values were ranged from -PI to PI in CHARMM ff.

Thanks very much for the time.
Have a nice day.

---
Jeffrey
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Received on Fri Dec 26 2008 - 01:16:18 PST
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