Hi,<br><br>I want to add 80000 of a molecule including 6 atoms. But when I run each of the following commands I <br><br>System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>nri = 1948, nrj = 22927<br>Try 63309box_margin = 3t overlap:<br>
Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>
nri = 1946, nrj = 22921<br>Try 63310box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>
System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>nri = 1930, nrj = 22871<br>Try 63311box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>
Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>nri = 1930, nrj = 22911<br>Try 63312box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>
Table routines are used for vdw: FALSE<br>Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>nri = 1930, nrj = 22885<br>Try 63313box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>
Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>nri = 1935, nrj = 22846<br>
Try 63314box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>
Grid: 5 x 5 x 5 cells<br>nri = 1936, nrj = 22827<br>Try 63315box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>
Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>Grid: 5 x 5 x 5 cells<br>nri = 1930, nrj = 22863<br>Try 63316box_margin = 3t overlap:<br>Neighborsearching with a cut-off of 3<br>Table routines are used for coulomb: FALSE<br>
Table routines are used for vdw: FALSE<br>Cut-off's: NS: 3 Coulomb: 3 LJ: 3<br>System total charge: 0.000<br>Killed<br><br>