Re: [AMBER] Regarding increase in size of combine trajectory

From: Daniel Roe via AMBER <>
Date: Fri, 29 Jul 2022 09:06:21 -0400

On Fri, Jul 29, 2022 at 7:46 AM Carlos Simmerling via AMBER
<> wrote:
> Did you write to the same for at as what you read? That could make a
> difference. Maybe you read a binary netcdf and wrote an ascii format, which
> is larger.

This is almost certainly what is happening. The ASCII format is
roughly 2x as large as NetCDF.

If you're doing the conversion from the command line then cpptraj will
choose the output trajectory format based on the filename extension.
If the extension is unrecognized it defaults to Amber ASCII. So you
probably want something like:

cpptraj -p <top> -y <input traj> -x


AMBER mailing list
Received on Thu Aug 04 2022 - 13:37:40 PDT
Custom Search