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
-- 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
