报错：
For atom[1]:Cu1, the best APS is not zero, bonds involved by this atom are frozen
Info: Bond types are assigned for valence state 1 with penalty of 1
Total number of electrons: 139; net charge: 1
INFO: Number of electrons is odd: 139
Please check the total charge (-nc flag) and spin multiplicity (-m flag)
Running: /home/blamder/Software/amber/amber16/bin/sqm -O -i sqm.in -o sqm.out
Error: cannot run "/home/blamder/Software/amber/amber16/bin/sqm -O -i sqm.in -o sqm.out" of bcc() in charge.c properly, exit
于是先用gaussian计算resp电荷（8365.log 附件在下面了）
再输入：
antechamber -i 8365.log -fi gout -o 8365_resp.mol2 -fo mol2 -c resp -nc 1 -j 1 -at amber
报错：
sh: 1: /home/blamder/Software/amber/amber16/bin/respgen: not found
Error: cannot run "/home/blamder/Software/amber/amber16/bin/respgen -i ANTECHAMBER_RESP.AC -o ANTECHAMBER_RESP1.IN -f resp1 -e 1" in resp() of charge.c properly, exit
感谢！