VMD-L Mailing List

From: Ushasi Pramanik 1710228 (ushasi17_at_iiserb.ac.in)
Date: Thu Jul 12 2018 - 04:58:55 CDT

Hello all,
I am new in the parametrization field. I have tried with the tutorial in
ffTK given in the screencast and pdf document. I got the results same as
provided. But when I am trying to apply same method to some other known
molecules already given in CGenF I am not getting the charges close to
CGenF.
Can anyone help me regarding this as I am stuck into the problem from last
2 months.

Ushasi 

-- 
*USHASI PRAMANIK*
*Ph.D. student*
*IISER Bhopal*
*Dept of Chemistry*
*Thesis Supervisor: Dr. Rajesh Kumar Murarka*
*Academic Building 2, Lab No. 202Roll No. 1710228*
*Computational Biophysics and Soft Matter Group
<https://home.iiserb.ac.in/~rkm/>**https://home.iiserb.ac.in/~rkm/
<https://home.iiserb.ac.in/~rkm/>*
*email: ushasi17_at_iiserb.ac.in <ushasi17_at_iiserb.ac.in>*