Si SI 2.1 28.0855 4 O 0.162 O 0.162 O 0.162 O 0.162
Si SI 2.1 28.0855 3 O 0.162 O 0.162 O 0.162
Si SI 2.1 28.0855 2 O 0.162 O 0.162
Si SI 2.1 28.0855 1 O 0.162
Al AL 1.6 26.9815 4 O 0.195 O 0.170 O 0.170 O 0.170
H HH 0.5 1.0000 1 O 0.099
O O1 -1.05 15.9994 3 H 0.099 Al 0.195 Si 0.162
O O1 -1.05 15.9994 2 Si 0.162 Si 0.162
O O1 -1.05 15.9994 2 Si 0.162 Al 0.170
O O1 -1.05 15.9994 1 Si 0.162
我的命令：gmx x2top -f SiO.pdb -o top.top -ff select -nopbc -name SIO -kb 400000 -kt 800 -kp 200
选择力场后报错如下：
Can not find forcefield for atom O21-216 with 1 bonds
Can not find forcefield for atom 5H29-289 with 0 bonds
Can not find forcefield for atom 2H30-290 with 0 bonds
Can not find forcefield for atom O21-506 with 1 bonds
Can not find forcefield for atom 5H29-579 with 0 bonds
Can not find forcefield for atom 2H30-580 with 0 bonds
Can not find forcefield for atom O21-796 with 1 bonds
Can not find forcefield for atom 5H29-869 with 0 bonds
Can not find forcefield for atom 2H30-870 with 0 bonds
Can not find forcefield for atom O21-1086 with 1 bonds
Can not find forcefield for atom 5H29-1159 with 0 bonds
Can not find forcefield for atom 2H30-1160 with 0 bonds
Can not find forcefield for atom 5H29-1449 with 0 bonds
Can not find forcefield for atom 2H30-1450 with 0 bonds
Can not find forcefield for atom 5H29-1739 with 0 bonds
Can not find forcefield for atom 2H30-1740 with 0 bonds
Can not find forcefield for atom 5H29-2029 with 0 bonds
Can not find forcefield for atom 2H30-2030 with 0 bonds
Can not find forcefield for atom 5H29-2319 with 0 bonds
Can not find forcefield for atom 2H30-2320 with 0 bonds
Can not find forcefield for atom 5H29-2609 with 0 bonds
Can not find forcefield for atom 2H30-2610 with 0 bonds
Can not find forcefield for atom 5H29-2899 with 0 bonds
Can not find forcefield for atom 2H30-2900 with 0 bonds
Can not find forcefield for atom 5H29-3189 with 0 bonds
Can not find forcefield for atom 2H30-3190 with 0 bonds
Can not find forcefield for atom 5H29-3479 with 0 bonds
Can not find forcefield for atom 2H30-3480 with 0 bonds
Can not find forcefield for atom O25-3734 with 1 bonds
Can not find forcefield for atom 5H29-3769 with 0 bonds
Can not find forcefield for atom 2H30-3770 with 0 bonds
Can not find forcefield for atom O25-4024 with 1 bonds
Can not find forcefield for atom 5H29-4059 with 0 bonds
Can not find forcefield for atom 2H30-4060 with 0 bonds
Can not find forcefield for atom O25-4314 with 1 bonds
Can not find forcefield for atom 5H29-4349 with 0 bonds
Can not find forcefield for atom 2H30-4350 with 0 bonds
Can not find forcefield for atom O25-4604 with 1 bonds
Can not find forcefield for atom 5H29-4639 with 0 bonds
Can not find forcefield for atom 2H30-4640 with 0 bonds