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root/freemol/branches/sync4pymol12/src/mengine/src/estrbnd.c
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# Line 214 | Line 214
214                 deriv.destb[ic][1] += dedyic;
215                 deriv.destb[ic][2] += dedzic;
216                
217               virial.virx += xab*dedxia + xcb*dedxic;
218               virial.viry += yab*dedyia + ycb*dedyic;
219               virial.virz += zab*dedzia + zcb*dedzic;
217              }
218            }
219        }

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