G96Angle Proper Dih. Improper Dih. LJ-14 Coulomb-14 LJ (SR) LJ (LR) Coulomb (SR) Coulomb (LR) Potential original log 150.000000 5.20050e+04 1.52676e+04 1.35874e+04 -1.84057e+03 4.20054e+04 8.63463e+04 -2.06144e+04 -1.75113e+06 -2.53992e+04 -1.58977e+06 original edr 150.000000 52004.957031 15267.551758 13587.372070 -1840.567261 42005.445312 86346.281250 -20614.353516 -1751130.500000 -25399.248047 -1589773.125000 initial conf used to generate the tpr 3.2 + xtc 150.000000 52199.976562 15257.882812 13658.142578 -1829.492798 42028.433594 86380.992188 -20614.324219 -1751186.250000 -25376.886719 -1589481.500000 3.3 + xtc 150.000000 52199.976562 15257.882812 13658.142578 -1829.640869 42030.429688 86380.992188 -20614.324219 -1751185.500000 -25376.878906 -1589478.875000 3.2 + trr 150.000000 52004.406250 15267.520508 13587.389648 -1840.489014 42004.570312 86346.273438 -20614.363281 -1751132.625000 -25399.400391 -1589776.750000 3.3 + trr 150.000000 52004.406250 15267.520508 13587.389648 -1840.638916 42006.562500 86346.273438 -20614.363281 -1751132.125000 -25399.388672 -1589774.375000 final conf used to generate the tpr 3.2 + xtc 150.000000 52199.976562 15257.882812 13658.142578 -1829.492798 42028.433594 86380.992188 -20614.324219 -1751186.250000 -25376.886719 -1589481.500000 3.3 + xtc 150.000000 52199.976562 15257.882812 13658.142578 -1829.640869 42030.429688 86380.992188 -20614.324219 -1751185.500000 -25376.878906 -1589478.875000 3.2 + trr 150.000000 52004.406250 15267.520508 13587.389648 -1840.489014 42004.570312 86346.273438 -20614.363281 -1751132.625000 -25399.400391 -1589776.750000 3.3 + trr 150.000000 52004.406250 15267.520508 13587.389648 -1840.638916 42006.562500 86346.273438 -20614.363281 -1751132.125000 -25399.388672 -1589774.375000