CCL:G: QM/MM question

 Sent to CCL by: Ramon Crehuet [rcsqtc a iqac.csic.es]
 Dear Maurizzio,
 You could try Dynamo:
 It's not a program but a library of subroutines, but writing a program
 is as simple as colling a sequence of subroutines. It has a Fortran
 (outdated) version with semi-empirical methods and a Python version with
 semi-empiricals, DFT and an interface to Orca (also free).
 http://www.pdynamo.org
 Hope this helps!
 Ramon
 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
 >
 >