scripiting problem

From: ipsita basu (
Date: Tue Nov 10 2009 - 01:30:51 CST

Dear all,
            I want to run md simulation using namd,that's why I want to
write a script where I use pme on and I mentioned pmegridsizex, pmegridsizey
and pmegridsizez. But when I am going to run the script,a error was found
giving pme requires periodic boundary condition. How can I solve it? This is
the first time I am trying NAMD, I am now just trying to learn it. So I
really need your help. Please help me.

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

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