Dear All, While converting LJ parameters from Amber to Gromacs, acpype tool (that is used for converting Amber input files into those for gromacs) uses following form:
sigma = 2 * r * 2^(-1/6) I understand the factor 2^(-1/6), but there is another "2" that appears in the beginning. Where is that factor coming from? That factor does not arise when we choose following forms for LJ potential functions in Amber as well as Gromacs. Amber: [image: Inline image 1] Gromacs: [image: Inline image 2] Thanks in advance! regards Chetan
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