[gmx-developers] tables and checkpointing

[hess at sbc.su.se]

No! But this is an important issue.

We should include the tables in the tpr file.
But I don't know if we want to change this for 4.5.

Berk

> 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.
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