AMBER Archive (2005)

Subject: AMBER: dihedral term in prmtop file

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Thu Jul 28 2005 - 09:38:55 CDT

Dear amber users£¬

I feel puzzled with the negative term in the FLAG "DIHEDRALS_INC_HYDROGEN", like
      15 12 18 21 1 15 12 -18 21 2
      12 18 24 27 3 9 3 12 15 10
       9 3 -12 15 11 9 3 12 18 3
       6 3 12 15 10 6 3 -12 15 3
       6 3 -12 15 11 6 3 12 18 3
       3 12 18 21 2 0 3 12 15 10
       0 3 -12 15 3 0 3 -12 15 11
Would anybody tell me what the negative terms represent?
¡¡¡¡¡¡¡¡¡¡¡¡
                                 
Best regards,

Ye Mei
ymei_at_itcc.nju.edu.cn
Institute of Theoretical and Computational Chemistry
Key Laboratory of Mesoscopic Chemistry
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China
2005-07-28

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