[gmx-users] Re: 4. Re: QMMM (Txema Mercero)

Gerrit Groenhof ggroenh at gwdg.de
Wed Mar 9 13:26:25 CET 2011

  Please be more specific than not successful.

And also please understand that there are two things involved: the 
installation, which is so complicated because the gaussian license 
forbids distrubution of source code.

The actual QM, which sometimes is not thought through well enough. A 
general advice therefore is to first try to see if you can do the QM on 
the isolated (sub) system with a default QM package.

Since the interface with Orca runs and installs more smoothly, I suggest 
try that.

Hope this helps,


>     4. Re: QMMM (Txema Mercero)

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