From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Mon Oct 08 2012 - 06:12:51 CDT
Hi Marc,
Yes, the unit is kcal/mol.
Regards,
Jerome
On 8 October 2012 12:42, Marc Gordon <marcgrdn55_at_gmail.com> wrote:
> Hi all
>
> I've looked around but I am battling to find information on what units
> NAMD's colvars module outputs for the energies in the pmf file when the
> dumpFreeEnergyFile option is used.
>
> I imagine it is kcal/mol as that seems to be the standard but I was just
> looking for confirmation.
>
>
> Regards
> Marc
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