[gmx-developers] pullx output

Jochen Hub jochen at xray.bmc.uu.se
Wed Oct 6 15:31:40 CEST 2010


I noticed that mdrun now writes for each pull group first the columns of 
the reference group, and then the columns of the pull.

Is this the behavior for all possible pull geometries and all pull 
dimensions? Or are there circumstances when the pullx output is 
different? I just want to make sure before I change g_wham accordingly.



Dr. Jochen Hub
Computational and Systems Biology
Dept. of Cell&  Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4715056 Fax: +46-18-511755

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