molecular dynamics simulation

From: ipsita basu (
Date: Thu Nov 05 2009 - 04:35:33 CST

Dear all,
            I am very new to NAMD. I want to run simulations using it.
During installation of namd, some files of examples of scripting are also
installed. From those files, I can understand that psf,pdb,parameter files
are needed initially. But I can not understand the whole scripting. Will you
please give me more clear idea how I can start heating, equilibration and
dynamics. I really need your help.

Thanking You

Ipsita Basu

Ipsita Basu
Research Fellow
c/o : Dr. Chaitali Mukhopadhyay
Rajabazar Science College
92 APC Road
Kolkata - 700009

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