CCL:G: QM/MM question

["F. A. Pasha" <pashafa^_^yahoo.co.in>]

 Sent to CCL by: "F. A. Pasha" [pashafa]_[yahoo.co.in]
 Hi,
 You may try pDynamo which is free and good for QM/MM. This from our lab by M. J.
 Field.
 cheers
 > "Maurizzio m.argonni[]gmail.com"  wrote:
 >
 > Sent to CCL by: Maurizzio [m.argonni(~)gmail.com]
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 > 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
 >
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 >
 > Dear CCL&#39;ers:<br><br>I would like to perform some QM/MM
 calculations bu=
 > t I don&#39;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&#39;s lab that is able to use also GAMESS and Tinker
 albe=
 > it in a limited way because of limitations in GAMESS.<br>
 > <br>I have no money to pay for Gaussian or Schrodinger&#39;s
 Qsite and I so=
 > rt 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
 th=
 > eirs is free and/or developed elsewhere).<br>
 > <br>Anyway, I would appreciate any insights into what choices I have
 for=A0=
 >  QM/MM software that would allow me to do calculations like geometry
 optimi=
 > zations, transition states, etc. in protein systems. Thanks for the
 help!<b=
 > r>
 > <br>Maurizzio<br><br>=A0<br>
 >
 > --00151750e0b490a51004646d1ee0--
 >
 >