Hi Bill,
I want to rejoin the out files in order to have one file to examine the data by procese_mdout.pl to obtain e.g. ETOT, Temperature,... otherwise I think donig separately may force me to attach and paste it in to one file? Isn't it?
----- Original Message -----
From: Bill Miller III <brmilleriii.gmail.com>
Date: Thursday, April 29, 2010 2:37 pm
Subject: Re: [AMBER] joining out files
To: AMBER Mailing List <amber.ambermd.org>
> Correct. ptraj will not allow you to trajin mdout files for
> concatenation.What exactly are you trying to do?
>
> -Bill
>
> On Thu, Apr 29, 2010 at 7:03 AM, Homa Azizian
> <homa.azizian.anu.edu.au>wrote:
> >
> >
> > Hi,
> > I want to rejoin the .out files from separate md
> calculation. It
> > seems thar trajin does not work for out file. How could I do this
> > Thank's for helping
> > Homa
> >
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Received on Thu Apr 29 2010 - 14:30:05 PDT
