[gmx-users] Adding proton using genion to study proton transfer reaction

Deepak Ojha alwaysinthemind at gmail.com
Thu Oct 10 08:05:19 CEST 2013

Dear GMxers,

I want to simulate the proton transfer reaction in bulk water using
gromacs.I am not aware how to add proton using genion.Is it possible to add
excess protons like other ions.I could not find proton in ions.itp.

If anybody can guide me about the same.

DeepaK Ojha
School Of Chemistry

"Selfishness is not living as one wishes to live, it is asking others to
live as one wishes to live"

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