标题: 分子对接过程中出现了警告和报错，请教各位老师，这该怎么解决呢 [打印本页] 作者Author: CMMCMM 时间: 2021-9-27 19:48 标题: 分子对接过程中出现了警告和报错，请教各位老师，这该怎么解决呢 /public1/home/sc50360/software/MPAutoDock/autogrid4: WARNING: Found an H-bondinn
g atom with three bonded atoms, atom serial number 3884
/public1/home/sc50360/software/MPAutoDock/autodock4-intel-omp-nompi: ERROR: PDBQQ
T ERROR: too many torsions, maximum number of torsions is 32
/public1/home/sc50360/software/MPAutoDock/autodock4-intel-omp-nompi: Aborting...
/public1/home/sc50360/software/MPAutoDock/autodock4-intel-omp-nompi: Unsuccessfuu
l Completion.8.out" 144L, 5178C
Abnormal exit on node 0 for ligand with rc -1
srun: error: u1905: task 0: Aborted
terminate called after throwing an instance of 'SlaveException144,1 Bot