[gmx-developers] Q-Chem interface for GROMACS?

Lee-Ping Wang leeping at MIT.EDU
Mon Jul 14 14:32:54 CEST 2008

Hi everyone,

I've been considering the possibility of writing a QMMM interface
between GROMACS and Q-Chem.  I'm somewhat familiar with certain parts of
the GROMACS code (namely, the bonded and nonbonded interaction parts)
and I've hacked it a little bit for our research.  For my experience
level, how long would it take to code up something that works?  How long
would the development process take?

- Lee-Ping Wang

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