Re: [AMBER] error

From: David A Case <>
Date: Sat, 3 Mar 2018 17:21:38 -0500

On Sat, Mar 03, 2018, Wu Xu wrote:
> Thank you. Do you know the way of converting binary trajectory to ascii
> text format? I searched it and could not find a solution.

You should use cpptraj to do that. The format of your trajin file will
be automatically recognized. If you name the trajout files with a .crd
extension, you should get an ascii trajectory.

The recommended and default trajectory format changed to netcdf (binary)
in Amber16. Unfortunately, I don't think anyone is maintaining the perl
version of MMPBSA anymore [I might be wrong here, and would be glad to
hear that it can read netcdf files....]


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Received on Sat Mar 03 2018 - 14:30:03 PST
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