Torsion potential barrier (low?) in NAMD

From: Vani Krishna (vakri2002_at_yahoo.com)
Date: Wed Jul 28 2004 - 10:57:56 CDT

Dear all:

When i was going through the NAMD code, The torsion
(K) is multiplied by some 'scale' factor. What is this
factor? Does this depend on the number of bonds
shared?

to rephrase, if i want to know the absolute barrier
from the 'K' values in CHARMM format, should I
multiply by some factor? if so what is it?
Iam guessing it is (2 x maximum torsions about the
bond). e.g X-C=C-X, it would be 2 x 4 =8

Is this right? otherwise some of the K's for peptide
bonds seem too low (O C NH1 CT1 2.5000
Kcal/mol)

Thanks

                
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