[gmx-users] Support of Saddle Point Calculations

Jack Shultz jshultz at hydrogenathome.org
Sun Oct 19 22:00:52 CEST 2008


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

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