Re: [gmx-users] Re: 1. Need small well known QM/MM example (Ake Sandgren)

On Thu, 2010-02-11 at 14:41 +0100, Gerrit Groenhof wrote: > Hi Ake, > you can download two files at > > wwwuser.gwdg.de/~ggroenh/ffamber03.tar.gz and > wwwuser.gwdg.de/~ggroenh/qmmm_input.tar.gz > > First is the forcefield files (GMXLIB shoul point there) > second is qmmm input files for a QM/

[gmx-users] Re: 1. Need small well known QM/MM example (Ake Sandgren)

Hi Ake, you can download two files at wwwuser.gwdg.de/~ggroenh/ffamber03.tar.gz and wwwuser.gwdg.de/~ggroenh/qmmm_input.tar.gz First is the forcefield files (GMXLIB shoul point there) second is qmmm input files for a QM/MM simulation. Hope it helps. Gerrit > > Message: 1 > Date: Thu, 11 Fe