[gmx-users] Re: gmx-users Digest, Vol 83, Issue 63

Gerrit Groenhof ggroenh at gwdg.de
Thu Mar 10 08:44:01 CET 2011

  The choice for the QM package depends on what level of QM theory you 
wish to use and what package are available to you. to proceed sue the 
instructions http://wwwuser.gwdg.de/~ggroenh/qmmm.html

Be aware though that QMMM is not to be considered a black box method.


>     4. QMMM (Haresh)

Respected sir,

I am new user in gromacs.
I want to run QMMM on gromacs.
Should I have install all source code like mopac7, guessin,gamess-UK  for QMMM ?

Please help me out.

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