Yes, they are two distinct formats - the older ASCII based and low precision mdcrd trajectory of coordinates (and optionally box info) and the binary / extendable netcdf format that can include coords, velocities, replica information, etc. mdcrd is bigger since expressing a number of 8-byte ASCII characters leads to more space being needed. --tec3
________________________________________
From: King Wu <lodking407.gmail.com>
Sent: Wednesday, December 1, 2021 11:25 AM
To: AMBER Mailing List
Subject: [AMBER] size (info) difference in traj file format: nc vs mdcrd
Hi, Amber
I am not sure if this topic has been discussed before, but I wonder if
there is any difference between the nc and mdcrd format for a traj? It
seems that mdcrd's size is much larger compared with nc. I have set up the
following flags when writing a traj file.
ntxo=2, ! Write NetCDF format
ioutfm=1, ! Write NetCDF format
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Received on Wed Dec 01 2021 - 11:30:03 PST
