[gmx-users] Morse potential for Specific Group

Jackson Chief Elk jchiefelk at gmail.com
Wed Dec 10 22:20:57 CET 2014

I am building my own routine to use the Gromacs API to do MS-EVB.  I need to treat O-H bonds of 1 hydronium ion with a Morse Potential.  How can I specify in the *.mdp file, to just describe bonding in hydronium using this potential?

Thanks for you help,

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