CCL:G: QM/MM question
- From: Maurizzio <m.argonni(a)gmail.com>
- Subject: CCL:G: QM/MM question
- Date: Fri, 6 Mar 2009 01:08:53 -0500
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