Re: [AMBER] Error in output file

From: Ross Walker <rosscwalker.gmail.com>
Date: Fri, 5 Aug 2011 06:43:14 -0700

Hi Aditya,

Are you sure your inpcrd file is for a periodic system and has box info (box dimensions and angles) at the end?

If not you will have to rebuild your inpcrd file for periodic simulations. Also try setting NTX=5.

All the best
Ross



On Aug 5, 2011, at 2:55, Aditya Padhi <adi.uoh.gmail.com> wrote:

> Dear Amber Users,
> When I am running simulation the output file gives the following
> error and the simulation stops. I am attaching the file with this mail.
> Kindly help me how to fix this problem.
>
> Regards
> Aditya.
> <Error.txt>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 05 2011 - 07:00:03 PDT
Custom Search