[gmx-developers] -dhdl flag in gmx energy obsolete?

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 29 11:16:34 CET 2016


I am trying to find out if anyone uses the gmx energy -dhdl code 
pathway. The information is (typically?) read by gmx bar, but gmx energy 
has code to deal with this too. I could not find any queries on the 
mailing list, which suggests no one uses this.

The reason I am asking is that in my energy file analysis patch 
https://gerrit.gromacs.org/#/c/4310/ I preserved the code but there is 
no testing yet. Alternative to throwing out the code would be if someone 
could provide/suggest a test set.

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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