Hello, I am fairly new to GROMACS but I have spent time running tutorials for several other molecular dynamics applications. I would like to know if the current framework for GROMACS has support for methods that calculate saddle point energy in first-order reactions. If so, are there examples I can read about?
Jack
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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