Multiplicity of parameters

From: Rahul Bhowmik (Rahul.Bhowmik_at_ndsu.edu)
Date: Tue Apr 18 2006 - 09:36:22 CDT

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Hi,
   I was trying to minimize Polycaprolactone (polymer) using CHARMm forcefield. I have used different parameters from CHARMm27 parameter file. During minimization I got the following error:

Multiplicity of Paramters for diehedral bond CT2 CT2 CT2 CT2 of 1 exceeded

The dihedral parameter which I have used for the above dihedral angle is as follows:
CT2 CT2 CT2 CT2 0.1500 1 0.000

I would appreciate if anyone give me the detail explanation of the error which I have got during minimization.

Thnaks
Rahul Bhowmik
Ph.D. Student,
Department of Civil Engineering,
North Dakota State University,
Fargo, ND-58105.
Phone :- 701-231-6275 (O)
              701-298-3746 (R)

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