From 9fc85fb574194e93752776c44c00c3e6513af281 Mon Sep 17 00:00:00 2001 From: Jeffrey Potoff Date: Tue, 13 Jun 2023 15:55:45 -0400 Subject: [PATCH] Update comment on C0 term in FFSetup.cpp --- src/FFSetup.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/FFSetup.cpp b/src/FFSetup.cpp index 2b2f897bd..664d7cc07 100644 --- a/src/FFSetup.cpp +++ b/src/FFSetup.cpp @@ -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);