[MMTK] adding bonds between molecules

konrad.hinsen at laposte.net konrad.hinsen at laposte.net
Thu Jan 13 09:41:47 CET 2005


On 12.01.2005, at 16:43, david.evans at ulsop.ac.uk wrote:

> Thanks for the info, I should be able to make it work by defining a
> new 'nucleotide'.
>
> If anyone is interested, I'm close to having Amber99 combined with
> the gaff forcefield implemented within MMTK, which should be useful
> ultimately for ligand binding calculations.

That sounds good!

Konrad.
--
------------------------------------------------------------------------ 
-------
Konrad Hinsen
Laboratoire Leon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: hinsen at llb.saclay.cea.fr
------------------------------------------------------------------------ 
-------




More information about the mmtk mailing list