AMBER Archive (2009)

Subject: Re: [AMBER] How to restart the umbrella sampling jobs?

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Tue Mar 03 2009 - 14:41:25 CST

On Tue, Mar 3, 2009 at 12:52 AM, Catein Catherine wrote:
> Can I restart the job so that the results of the missing 300 steps could be
> continuously written to x_md1.mdcrd and x_md1.result files?

I'm not quite sure it works, but have you tried the -A (instead of -O)
option to sander?

Gustavo.

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber