Re: [AMBER] Fwd: unreadable *.mdcrd

From: David A Case <david.case.rutgers.edu>
Date: Fri, 5 Feb 2021 08:51:40 -0500

On Fri, Feb 05, 2021, Tomasz Miernik wrote:

>During the calculations, I get an mdcrd file with the following content:
>CDF^B^.^.^.^B^.^.^. .....

Looks like what you should expect: the default trajectory format is netcdf,
which is a binary format that you cannot edit. But other codes can read
this in, such as cpptraj, VMD, Chimera and others.

If you need to conver to an ASCII format, cpptraj can do that for you: set
trajin to your mdcrd file, and use "trajout <filename>.crd"

...good luck...dac


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Received on Fri Feb 05 2021 - 06:00:05 PST
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