Re: scripiting problem

From: DimitryASuplatov (genesup_at_gmail.com)
Date: Tue Nov 10 2009 - 11:21:55 CST

Paste the script here so we can look at it.
SDA

PS You should be using tcl.

On Tue, Nov 10, 2009 at 9:30 AM, ipsita basu <ibasu788_at_gmail.com> wrote:
> 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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