[gmx-developers] Conformation representation and energy function

Anthony Costa anthony.costa at gmail.com
Tue Oct 5 15:41:41 CEST 2010

On Tue, Oct 5, 2010 at 08:40, Anthony Costa <anthony.costa at gmail.com> wrote:
> The program GMIN does (doubly)-nudged elastic band calculations along
> with a nice connection algorithm (see work of Trygubenko in the Wales
> group) which can calculate minimum energy pathways between very
> disconnected local minima, starting with structures revealed in GMIN.

The program *OPTIM* does these connections, sorry, not GMIN. Starting
structures are from GMIN.

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