Re: water equilibration

From: Bjoern Olausson (namdlist_at_googlemail.com)
Date: Mon Jun 06 2011 - 09:12:33 CDT

On Monday 06 June 2011 15:55:39 Narasimhan LOGANATHAN wrote:
> Hi,
>
> Yes. I copied all the error message. It didnt provide any other information
> on the line which i went wrong.
>
> Sincerely
> Naresh
>

A quick look at your config file does not reveal an obvious error.

Please rule out your custom FF paramter file (clayff-namd.inp) by replacing it
with a general one (from CHARMM or whatever you have at hand)

Cheers,
Bjoern

-- 
Bjoern Olausson
Martin-Luther-Universitšt Halle-Wittenberg 
Fachbereich Biochemie/Biotechnologie
Kurt-Mothes-Str. 3
06120 Halle/Saale
Phone: +49-345-55-24942

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