[AMBER] Using a restart file

From: Simone Swift <s.swift.hud.ac.uk>
Date: Thu, 15 Jan 2009 16:40:38 +0000

Hello

I have been running a MD using sander when my computer crashed.
The commands I have been using are:
Sander -I script4.in -o script4.out -p dp10.prmtop -c script3.res -r script4.res

Is there any way of using the restart file to continue this run from where it stopped when the computer crashed?

Any help is much appreciated.

Thanks

Simone Swift


 





This transmission is confidential and may be legally privileged. If you receive it in error, please notify us immediately by e-mail and remove it from your system. If the content of this e-mail does not relate to the business of the University of Huddersfield, then we do not endorse it and will accept no liability.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jan 18 2009 - 01:10:16 PST
Custom Search