Re: [AMBER] Difference between the .crd file format in AMBER-7 and AMBER-12

From: case <>
Date: Sat, 26 Oct 2013 08:58:46 -0400

On Sat, Oct 26, 2013, anu chandra wrote:
> I am trying to use the Amber crd trajectories in Gromacs. Here, Gromcas use
> the VMD molfile pulgin for reading the crd files. From the plugin details,
> I came to know that the pulgin reads .crd files with AMBER7 format and I
> could not able to use the plugin for reading the .crd files ( generated
> with AMBER 12) in Gromcas. As a trial run, when I convert the .crd file to
> .binpos file in VMD, Gromcas successfully read the file with the help of
> respective plugin in VMD. I wonder is there any difference between the .crd
> file format in AMBER-7 and AMBER-12?

In VMD-lingo, "Amber7" refers to "Amber 7 and all subsequent versions". So
there should be no difference between Amber7 and Amber12.

One possible problem is that people sometimes mean different things by the
term ".crd file". Amber doesn't enforce any particular file extensions.
"coordinates" might mean those in a restart file or in a trajectory file.
Your use of "binpos" suggests that you might have coordinates in a trajectory
file, but I'm just guessing. What do the top few lines of your .crd file
look like?


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Received on Sat Oct 26 2013 - 06:00:03 PDT
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