[AMBER] User-defined high precision AMBER trajectory file formats

From: Xin Bai <baixin.zju.edu.cn>
Date: Thu, 12 Dec 2019 19:12:01 +0800 (GMT+08:00)

Hello,

I want to change the trajectory file format to 6F13.7, since the default format is 10F8.3 obtained from the CPPTRAJ. However, I only find the [highprecision] (which is F8.6) option which dose not change the coordinate width and the number of coordinates in a row. Is there any other CPPTRAJ command could be used to change the trajectory file format or change the number of coordinates in a row? My CPPTRAJ commands are:

parm *.prmtop

trajin *.nc

trajout *.mdcrd




Thanks a lot!

Xin
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Received on Thu Dec 12 2019 - 03:30:02 PST
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