Hi,
I use the following command for converting Part.pdb file to Part.Mol2,
MHA:amber14 mha$ $AMBERHOME/bin/antechamber -i Part.pdb -fi pdb -o Part.mol2 -fo mol2 -c bcc -s 2
But, I received the following warnings and errors :(
Warning: detected more than 10 Residue sequence numbers;
this may be a large multiple residue PDB file;
large multiple residue PDB files are not supported.
Continuing, but problems may be encountered.
The atom number exceeds the MAXATOM, reallocate memoryWarning: detected more than 10 Residue sequence numbers;
this may be a large multiple residue PDB file;
large multiple residue PDB files are not supported.
Continuing, but problems may be encountered.
Info: the bond number exceeds MAXBOND, reallocate memory automatically
Running: /Users/amber14/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
^CError: cannot run "/Users/amber14/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in judgebondtype() of antechamber.c properly, exit
would you please give me some suggestions to resolve it, or alternatives to convert pdb file to Mol2?
Bests
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Received on Fri Feb 26 2016 - 04:30:03 PST
