[gmx-users] Ryckaert-Bellemans type dihedral

Suman Chakrabarty suman at sscu.iisc.ernet.in
Sat May 9 17:15:50 CEST 2009


I need to write my own topology file for a system using
Ryckaert-Bellemans type dihedral potential. Since I should remove the
1-4 non-bonded interaction in this case, I wanted to know whether it is
enough not to keep any [ pairs ] entry in the topology file (manual page
113), or I should explicitly put nrexcl as 4 in the [ moleculetype ]
section. What is the full-proof method of using RB potential?


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