[gmx-developers] tables and checkpointing

[David van der Spoel]

Information about table potentials are not currently stored in 
checkpoint files. Would it be a good idea to store a checksum for the 
tables in the checksum as well? In that case one can make sure that a 
continuation really runs on the same energy surface.

-- 
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