[gmx-users] Expanding of the boundaries of the enssemble

Bogdan Costescu bcostescu at gmail.com
Fri Nov 22 16:44:09 CET 2013


On Fri, Nov 22, 2013 at 4:27 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Anybody wanting to add functionality to trjconv will need to offer me a
> raise along with it ;-)

The functionality should never be added to trjconv, independent of
your raise :) trjconv does trajectory (and structure files along the
way) conversions. If at all, it should be added in a separate tool, as
the proposed functionality has nothing to do with conversion. Such
protocols will probably become easier with the combined functionality
in GROMACS 5.0 and beyond...

Cheers,
Bogdan


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