AMBER Archive (2009)

Subject: Re: [AMBER] combining MD runs for post-MD analysis

From: Qinghua Liao (fantasticqhl_at_yahoo.com)
Date: Sun Sep 20 2009 - 20:01:22 CDT

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_at_live.com>
To: Reflector Amber <amber_at_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                        
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