[gmx-users] How GROMACS calculate the energy of hydrogen bond
acootbrett at yahoo.com
Thu May 31 08:42:54 CEST 2012
The value of the energy of the hydrogen bond has relation with distance and angle of the hydrogen bond related atoms. As for in the simulation process, the distance and angle of the hydrogen bond related atoms may change continuously. Will you please let me know based on which formula GROMACS calculated the value of the energy of the hydrogen bonds?
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