Antw: [gmx-developers] functions for calculating the potential energy terms

[Peter Friedel]

hi, valentin,
what do you think about some awk scripts to filter all energy terms from the md.log file?
I made some of this scripts ann connect them inside of an shell script. of course, it depends on the energies, which are written out in the log file. But, it is a beginning.
cheers, peter

<<< Valentin Gogonea <v.gogonea at csuohio.edu> 06.03. 22.04 >>>
Hi Gromacs developers,

Can somebody give me a list of the functions that do the potential 
energy calculation.

Thank you,

Valentin
CSU

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