hi Everyone
i used antechamber for my heme fe--o2 ligand it show this error and mol2
not formed for heme-fe----O2. i also sending you the leap.log kindly tell
me where i am wrong
Running: /home/rehan/Downloads/amber16/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
For atom[26]:O01, the best APS is not zero, bonds involved by this atom are
frozen
For atom[45]:Fe, the best APS is not zero, bonds involved by this atom are
frozen
The frozen atom type can only be 1, 2, 3, 7 (aromatic single), 8 (aromatic
double)Error: cannot run "/home/rehan/Downloads/amber16/bin/bondtype -j
full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in
judgebondtype() of antechamber.c properly, exit
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Received on Wed Jun 28 2017 - 16:00:04 PDT
