Dear all user How can I have a force field for simulation of boron-nitride nanotube? The pdb file of nanotube is as follow:
HETATM 1 N1 UNK 1 1.597 0.000 -5.015 1.00 0.00 N HETATM 2 N2 UNK 1 1.129 1.129 -2.870 1.00 0.00 N HETATM 3 B3 UNK 1 1.129 1.129 -4.291 1.00 0.00 B HETATM 4 N4 UNK 1 0.000 1.597 -5.015 1.00 0.00 N HETATM 5 N5 UNK 1 -1.129 1.129 -2.870 1.00 0.00 N HETATM 6 B6 UNK 1 -1.129 1.129 -4.291 1.00 0.00 B HETATM 7 N7 UNK 1 -1.597 0.000 -5.015 1.00 0.00 N HETATM 8 N8 UNK 1 -1.129 -1.129 -2.870 1.00 0.00 N HETATM 9 B9 UNK 1 -1.129 -1.129 -4.291 1.00 0.00 B HETATM 10 N10 UNK 1 0.000 -1.597 -5.015 1.00 0.00 N HETATM 11 N11 UNK 1 1.129 -1.129 -2.870 1.00 0.00 N HETATM 12 B12 UNK 1 1.129 -1.129 -4.291 1.00 0.00 B HETATM 13 N13 UNK 1 1.597 0.000 -0.724 1.00 0.00 N HETATM 14 B14 UNK 1 1.597 0.000 -2.145 1.00 0.00 B HETATM 15 N15 UNK 1 1.129 1.129 1.421 1.00 0.00 N HETATM 16 B16 UNK 1 1.129 1.129 0.000 1.00 0.00 B HETATM 17 N17 UNK 1 0.000 1.597 -0.724 1.00 0.00 N HETATM 18 B18 UNK 1 0.000 1.597 -2.145 1.00 0.00 B HETATM 19 N19 UNK 1 -1.129 1.129 1.421 1.00 0.00 N HETATM 20 B20 UNK 1 -1.129 1.129 0.000 1.00 0.00 B HETATM 21 N21 UNK 1 -1.597 0.000 -0.724 1.00 0.00 N HETATM 22 B22 UNK 1 -1.597 0.000 -2.145 1.00 0.00 B HETATM 23 N23 UNK 1 -1.129 -1.129 1.421 1.00 0.00 N HETATM 24 B24 UNK 1 -1.129 -1.129 0.000 1.00 0.00 B HETATM 25 N25 UNK 1 0.000 -1.597 -0.724 1.00 0.00 N HETATM 26 B26 UNK 1 0.000 -1.597 -2.145 1.00 0.00 B HETATM 27 N27 UNK 1 1.129 -1.129 1.421 1.00 0.00 N HETATM 28 B28 UNK 1 1.129 -1.129 0.000 1.00 0.00 B HETATM 29 N29 UNK 1 1.597 0.000 3.566 1.00 0.00 N HETATM 30 B30 UNK 1 1.597 0.000 2.145 1.00 0.00 B HETATM 31 B31 UNK 1 1.129 1.129 4.291 1.00 0.00 B HETATM 32 N32 UNK 1 0.000 1.597 3.566 1.00 0.00 N HETATM 33 B33 UNK 1 0.000 1.597 2.145 1.00 0.00 B HETATM 34 B34 UNK 1 -1.129 1.129 4.291 1.00 0.00 B HETATM 35 N35 UNK 1 -1.597 0.000 3.566 1.00 0.00 N HETATM 36 B36 UNK 1 -1.597 0.000 2.145 1.00 0.00 B HETATM 37 B37 UNK 1 -1.129 -1.129 4.291 1.00 0.00 B HETATM 38 N38 UNK 1 0.000 -1.597 3.566 1.00 0.00 N HETATM 39 B39 UNK 1 0.000 -1.597 2.145 1.00 0.00 B HETATM 40 B40 UNK 1 1.129 -1.129 4.291 1.00 0.00 B HETATM 41 H41 UNK 1 -2.140 0.000 -5.855 1.00 0.00 H HETATM 42 H42 UNK 1 0.000 2.140 -5.855 1.00 0.00 H HETATM 43 H43 UNK 1 2.140 0.000 -5.855 1.00 0.00 H HETATM 44 H44 UNK 1 0.000 -2.140 -5.855 1.00 0.00 H HETATM 45 H45 UNK 1 1.582 1.582 5.282 1.00 0.00 H HETATM 46 H46 UNK 1 1.582 -1.582 5.282 1.00 0.00 H HETATM 47 H47 UNK 1 -1.582 1.582 5.282 1.00 0.00 H HETATM 48 H48 UNK 1 -1.582 -1.582 5.282 1.00 0.00 H regards Javad
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