The Urey Bradley constant in CHARMM is expressed in units of kcal per (mol
squared angstrom). However, in the Gromacs manual in Table 5.5, it is expressed
in kJ/mol. How do we convert the constant from kcal per (mol squared angstrom)
to kJ/mol in gromacs. Could gromacs have been expressing this constant in kJ
per (mol squared nanometers) rather than in kJ/mol.
Thanks,
Bernard
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