Hi Farzad,
I neither installed nor compiled Gaussian so far but actually, I am
intending to do so in near future. I found this link:
http://wwwuser.gwdg.de/~ggroenh/qmmm.html#doc
(scroll down to Gaussian03)
Cheers, Ilona
Quoting Farzad Molani <[email protected]>:
Hello,
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?
Thanks in advance.
Farzad Molani,
Ph.D Student,
Department of Theoretical Chemistry and Biochemistry,
K. N. Toosi University of Technology,
Tehran, Iran.
Tel.: 009821 2306 4280=20
Fax: 009821 2285 3650=20
Web: http://www.kntu.ac.ir
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