Antw: [gmx-users] constant PH simulations
Emanuel.Peter at chemie.uni-regensburg.de
Tue Sep 6 13:47:22 CEST 2011
Look for the pKa-constants of each part of your system (e.g. each amino-acid).
Then you can check each protonation state and change it according to your
application in the force-field.
>>> fancy2012 06.09.11 13.01 Uhr >>>
Dear gmx users,
Are there some tutorials on constant PH simulations using gromacs? How should I state my work? Right now I have no idea on it.
Ph.D student of Tianjin University, China
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