[gmx-users] How to determine box shape and parameters from a run

Ramon Crehuet rcsqtc at iqac.csic.es
Tue Nov 3 12:04:29 CET 2015


Dear all,
This is a very simple question, but I could not find the answer in the 
documentation. Some time ago I run a simulation and now I don't remember the box 
shape and sizes I used. In which file is this information contained?
A related question is whether the box volume is printed somewhere or I need to 
calculate it from the parameters.
Thanks in advance,
Ramon

PS. My log contains Box-X Box-Y and Box-Z parameters. Does that mean I used a 
rectangular box?

-- 
Ramon Crehuet
Cientific Titular (Assistant Professor)
Institute of Advanced Chemistry of Catalonia
IQAC - CSIC
http://www.iqac.csic.es/qteor
https://twitter.com/rcrehuet
http://ramoncrehuet.wordpress.com/
Tel. +34 934006116
Jordi Girona 18-26
08034 Barcelona (Spain)



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