CCL:G: QM/MM question

 Sent to CCL by: servaas [servaas.michielssens],[student.kuleuven.be]
 Gromacs can do what you need:
 http://wwwuser.gwdg.de/~ggroenh/qmmm.html, it has an
 interface to free
 QM sofware (like gamess and mopac).
 kind regards,
 Servaas
 On Fri, 2009-03-06 at 01:08 -0500, Maurizzio m.argonni[]gmail.com wrote:
 > Dear CCL'ers:
 >
 > I would like to perform some QM/MM calculations but I don't seem to be
 > able to find adequate software for it that is free for academic use.
 > Are the choices really so limited? So far, I am aware of GAMESS
 > interfaced to a very dated version of Tinker and then QMMM software
 > from Dr. Truhlar's lab that is able to use also GAMESS and Tinker
 > albeit in a limited way because of limitations in GAMESS.
 >
 > I have no money to pay for Gaussian or Schrodinger's Qsite and I sort
 > of refuse to pay 500 UK Pounds for Chemshell on the basis that I am
 > not British (not to mention that most of the software they use as a
 > base for theirs is free and/or developed elsewhere).
 >
 > Anyway, I would appreciate any insights into what choices I have for
 > QM/MM software that would allow me to do calculations like geometry
 > optimizations, transition states, etc. in protein systems. Thanks for
 > the help!
 >
 > Maurizzio
 >
 >