Commit 707ab7bd by Francois Gygi

Revert to previous sign convention for torsion angle, now compatible with VMD.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1825 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 3c4bb2ae
......@@ -145,7 +145,7 @@ class TorsionCmd : public Cmd
D3vector e123 = normalized(e12^e32);
D3vector e234 = normalized(e23^e43);
double cc = max(min(e123*e234,1.0),-1.0);
double ss = -max(min((e123^e234)*e32,1.0),-1.0);
double ss = max(min((e123^e234)*e32,1.0),-1.0);
a = (180.0/M_PI) * atan2(ss,cc);
}
......
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