[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


In googling for something else, I found this posting

which says that there have been improvements to the code for doing TI
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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