[gmx-users] Problems with trjconv

Yuhua Song yhsong at ccb.wustl.edu
Tue Dec 23 01:47:01 CET 2003

Thanks, I will do the protocol as you described in the following simulation.
The current simulation had taken me more than ten days, do I have a way to
get the data from current results in *.trr?


----- Original Message ----- 
From: "Dallas Warren" <dallas.warren at vcp.monash.edu.au>
To: <gmx-users at gromacs.org>
Sent: Monday, December 22, 2003 6:21 PM
Subject: Re: [gmx-users] Problems with trjconv

> Yuhua,
> >I want to know that there are some ways that can help me out? Because
> >run have been going for a while, if I can not analyze the data, then it
> >waste too much time. I look forward to hearing from you.
> Unless precision is a real issue, save the trajectory as a *.xtc
> file.  Three times smaller, so you avoid/delay the large file
> problems.  Then write out the *.trr file at larger intervals (I use 1 ns)
> so that if a problem or crash occurs you don't loose too much time/effort.
> Catch ya,
> Dr. Dallas Warren
> Research Fellow
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
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