On 8/14/12 2:15 PM, tarak karmakar wrote:
Hi David,
Thanks for the reply. But I rechecked the paper [
http://www.sciencedirect.com/science/article/pii/S0009261408007975] as
I mentioned earlier, the unit of the harmonic force constant for the
dihedral is kcal/mol/deg^2. Again if the force constant unit is
independent of degree or radian then why should I multiply by the
factor 180/pi ? Can you please make it clear, I gotta confused.
If you have questions directly related to someone's published work, you should
probably contact the corresponding author and ask if they will provide any input
files, force field files, etc. It's far more effective than asking any of us to
troubleshoot or analyze someone else's work.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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