Hi! Dear all I am using acpype to generate topologies of ligand for gromacs md simmulation. I habe amber tools 18 and downloaded acpype from github. The test runs go well but when i run my file with ../acpype.py -i UNL.mol2 -c gas or even ../acpype.py -di UNL.mol2 iI get following error /home/dr/Downloads/amber18/bin/to_be_dispatched/antechamber: Fatal Error! Weird atomic valence (2) for atom (ID: 1, Name: C). Possible open valence. ACPYPE FAILED: [Errno 2] No such file or directory: 'tmp' File "../acpype.py", line 3704, in <module> File "../acpype.py", line 3392, in __init__ File "../acpype.py", line 910, in setResNameCheckCoords Total time of execution: less than a second Please any way to get out of this problem? Looking forward for your cooperation Regards -- Gromacs Users mailing list
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