[gmx-users] Where in the source code is the .edr file written?

Andrew DeYoung adeyoung at andrew.cmu.edu
Wed Mar 14 20:33:21 CET 2012


I am running Gromacs 4.5.5.  Can you please tell me what source code file(s)
contain the code for writing the .edr file during mdrun?  The manual gives a
lot of information about how various quantities (e.g., pressure) are
calculated, but I would like to see exactly in the code where quantities
like density and pressure are computed and are written to the .edr file.  I
am not sure how straightforward this will be, but I just wanted to ask if
you could point me in a general direction in the source code.

Thanks so much!

Andrew DeYoung
Carnegie Mellon University

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