Farzad Molani wrote:
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?
Start here http://www.gromacs.org/index.php?title=Documentation/How-tos/QMMM
Mark
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
