Warren Gallin wrote:
Justin,
OK, this makes sense to me, and I can do the interconversion of units
easily enough outside of the GROMACS tools.
Should I file a bug report?
No need. I've fixed this in the release-4-5-patches branch so the output will
be correct whenever ve
Justin,
OK, this makes sense to me, and I can do the interconversion of units
easily enough outside of the GROMACS tools.
Should I file a bug report?
Warren Gallin
On 2011-06-29, at 12:48 PM, Justin A. Lemkul wrote:
>
>
> Warren Gallin wrote:
>> Hi,
>> I've just run g_b
Warren Gallin wrote:
Hi,
I've just run g_bar on data from a simulation, and I am having trouble
reconciling the graphical output with the numerical output. The units seem to
be inconsistent.
In particular the numbers under detailed results are in units of kT,
followed by f
Hi,
I've just run g_bar on data from a simulation, and I am having trouble
reconciling the graphical output with the numerical output. The units seem to
be inconsistent.
In particular the numbers under detailed results are in units of kT,
followed by final results in kJ/mole (
4 matches
Mail list logo