<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>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.</DIV>
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<DIV>Thanks,</DIV>
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<DIV>Bernard</DIV></td></tr></table>