Reg: QM/MM calculations in NAMD

From: Akshay Bhatnagar (
Date: Mon Nov 10 2014 - 07:05:40 CST

Dear all

Can anyone please tell me how can i perform QM/MM calculation for my system
(pdb file with cystine as solute and remaining part of micro-environment
around that cystine as solvent ). I don't know how to prepare the input
file and how ti run it in NAMD.

Please help!!

With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus

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