AMBER Archive (2006)

Subject: RE: AMBER: concatenating .mdcrd files

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed May 03 2006 - 11:39:11 CDT

Hi Kenley,
 
You have two options here. Firstly the latest versions of VMD support
loading multiple mdcrd files into a single molecule. So you can just load
each MDCRD file one after another and watch them as a single move / render
them as a single movie.
 
Options 2 is to use ptraj. E.g. an ptraj input file:
 
trajin mdcrd.1
trajin mdcrd.2
trajin mdcrd.3
trajin mdcrd.4
trajout new_mdcrd
 
 
All the best
Ross
 
 

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From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
Kenley Barrett
Sent: Wednesday, May 03, 2006 09:32
To: amber_at_scripps.edu
Subject: AMBER: concatenating .mdcrd files

Dear AMBER community,

I need to run a long simulation, which I had planned on breaking up into
several shorter runs. However, I would like to present results of the long
simulations as one movie (made in VMD). Is it possible to concatenate .mdcrd
files, and if so, how?

Thank you in advance for any suggestions.

Kenley

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