Hi Sir,
I think you can use VMD or PTRAJ to do that, it is easy. You can have a try! Thanks!
Good luck!
Qinghua
________________________________
From: Jeff Yeo <weekiang.live.com>
To: Reflector Amber <amber.ambermd.org>
Sent: Monday, September 21, 2009 8:02:12 AM
Subject: [AMBER] combining MD runs for post-MD analysis
Hi,
I have completed two MD runs based on the same topology file:
1) MD1 : from 1ps to 2000ps
2) MD2 : from 2001ps to 4000ps
Currently I have 2 separate sets of results (e.g. mdcrd, etc) from those two MD runs.
Is there a way to combine the separate sets of results before I start my post-MD analyses (e.g. RMSD, MM/PBSA, etc)? Will cat md1.mdcrd md2.mdcrd work?
Thank you.
Regards,Jeff
_________________________________________________________________
More than messages–check out the rest of the Windows Live™.
http://www.microsoft.com/windows/windowslive/
_______________________________________________
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 Sun Sep 20 2009 - 18:30:02 PDT
