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Update comment on C0 term in FFSetup.cpp
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jpotoff authored Jun 13, 2023
1 parent 4c12477 commit 9fc85fb
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Original file line number Diff line number Diff line change
Expand Up @@ -343,6 +343,7 @@ void Dihedral::Read(Reader & param, std::string const& firstVar)
if(index == 0) {
//set phase shift for n=0 to 90 degree
// We will have C0 = Kchi (1 + cos(0 * phi + 90)) = Kchi
//this avoids double counting the C0 (constant offset) term, which is used force fields like TraPPE
def = 90.00;
}
Add(merged, coeff, index, def);
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