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

[Mark Abraham]

Ja. At least if I got a raise I could afford the therapy required after
looking at gmx_trjconv.c... :-P

Mark
On Nov 22, 2013 4:48 PM, "Bogdan Costescu" <bcostescu at gmail.com> wrote:

> 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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