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root/freemol/branches/sync4pymol12/src/mengine/src/field.c
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# Line 128 | Line 128
128          pot.use_imptor = FALSE;
129          pot.use_angang = FALSE;
130          pot.use_strtor = FALSE;
131    } else if (field.type == AMBER || field.type == OPLSAA)
132    {
133        pot.use_bond = TRUE;
134        pot.use_angle = TRUE;
135        pot.use_strbnd = FALSE;
136        pot.use_opbend = FALSE;
137        pot.use_opbend_wilson = FALSE;
138        pot.use_tors = TRUE;
139        
140        pot.use_vdw = FALSE;
141        pot.use_buck = FALSE;
142        pot.use_lj = TRUE;
143        pot.use_hal = FALSE;
144        
145        pot.use_hbond = FALSE;
146        
147        pot.use_gauss = FALSE;
148        pot.use_charge = TRUE;
149        pot.use_bufcharge= FALSE;
150        pot.use_dipole = FALSE;
151        pot.use_urey = FALSE;
152        pot.use_improp = FALSE;
153        pot.use_imptor = TRUE;
154        pot.use_angang = FALSE;
155        pot.use_strtor = FALSE;
131      }
132      if (fx_dist.ndfix > 0) pot.use_geom = TRUE;
133      if (fx_angle.nafix > 0) pot.use_geom = TRUE;

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