[gmx-users] sigma-epsilon to c6-c12

Mark Abraham mark.abraham at anu.edu.au
Wed Feb 14 15:41:28 CET 2007


> Dear All,
>
>   This might be a trivial question but please help me in converting the
> sigma/epsilon to c6/c12 parameters. How are they linked?

Please see the relevant section in chapter 4 (if I recall correctly) of
the manual.

Mark




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