Hi,
I try to find some information about the VDW equation use in the lie
function in cpptraj because i have different results if i use the
function or if i do it manually with this formula : Evdw = ACOEFF/r^12 -
BCOEFF/r^6
Could you please give me more information about what is implemented in
this function LIE
Best regards
ETHEVE Loic PhD student
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Received on Wed Oct 01 2014 - 02:30:02 PDT
