[gmx-users] Free energy optimisations
david.evans at ulsop.ac.uk
david.evans at ulsop.ac.uk
Mon Sep 6 12:23:31 CEST 2004
Hello,
In googling for something else, I found this posting
http://www.gromacs.org/pipermail/gmx-revision/2004-August/000004.html
which says that there have been improvements to the code for doing TI
calculations.
Would it possible for these changes to be posted here, or mailed to
me privately if they are too extensive. I'll do my best to test them
on my systems and report back any problems.
Thank you
David Evans
London School of Pharmacy
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