[gmx-users] access code for qmmm
Mark.Abraham at anu.edu.au
Sat Nov 14 22:10:02 CET 2009
Farzad Molani wrote:
> I'm going to study reactions mechanism for enzymes. I want to use gromacs
> for qmmm calculations. I read Gerrit Groenhof's access code for qmmm. I
> have some questions about Groenhof's code:
> 1- After compileing this code,Does QM package (for example Gaussian 03)
> need to modify ?
> 2- Does this code implement in Gromacs 4.0?
Start here http://www.gromacs.org/index.php?title=Documentation/How-tos/QMMM
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