acdoctor mode is on: check and diagnose problems in the input file.
/home-ys/users/YS_yangyf/jly/Softwares/Amber/amber20/bin/wrapped_progs/antechamber: Fatal Error!
Residue (CRO) has a type of LINKING.
于是我就将CRO.cif 中的带有linking那一行删掉了。在运行相同的命令时,就发生如下报错:
Welcome to antechamber 20.0: molecular input file processor.
acdoctor mode is on: check and diagnose problems in the input file.
antechamber: /home-ys/users/YS_yangyf/jly/Softwares/Amber/amber20_src/AmberTools/src/antechamber/mmcif.c:70: rmmcif: Assertion `col2 >= 0' failed.
/home-ys/users/YS_yangyf/jly/Softwares/Amber/amber20/bin/antechamber: line 9: 18349 Aborted $AMBERHOME/bin/wrapped_progs/antechamber "$@"
于是我就对amber20_src/ambertools/src/antechamber 中的mmcif.c中的第68行使用//对该段进行注释,然后并在该目录下使用make install 重新安装antechamber。但又出现了报错:
Makefile:3: ../config.h: No such file or directory
make: *** No rule to make target `../config.h'. Stop.