-i BEN.mol2
============================================================================
| ACPYPE: AnteChamber PYthon Parser interfacE v. 0 0 Rev: 0 (c) 2020 AWSdS |
============================================================================
WARNING: no 'babel' executable, no PDB file as input can be used!
ACPYPE FAILED: [Errno 2] No such file or directory: 'tmp'
Total time of execution: less than a second
$ ./acpype.py -di BEN.mol2 -c user 显示
============================================================================
| ACPYPE: AnteChamber PYthon Parser interfacE v. 0 0 Rev: 0 (c) 2020 AWSdS |
============================================================================
DEBUG: Python Version 3.6.5
DEBUG: Max execution time tolerance is 10h
WARNING: no 'babel' executable, no PDB file as input can be used!
DEBUG: /public/home/zhangyj/gromacs/amber18/bin/antechamber -i BEN.mol2 -fi mol2 -o tmp -fo ac -pf y
DEBUG: /public/home/zhangyj/gromacs/amber18/bin/to_be_dispatched/antechamber: error while loading shared libraries: libimf.so
: cannot open shared object file: No such file or directory
ACPYPE FAILED: [Errno 2] No such file or directory: 'tmp'
File "./acpype.py
", line 3558, in <module>
is_sorted=options.sorted, chiral=options.chiral)
File "./acpype.py
", line 3155, in __init__
self.setResNameCheckCoords()
File "./acpype.py
", line 673, in setResNameCheckCoords
tmpFile = open('tmp', 'r')
Total time of execution: less than a second