Dear Amber admin
I have a novel organic molecules consists of 1 unit cell with has 504 atoms. When i run it came out an error
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.
Error: cannot run "/home/min/amber11/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in judgebondtype() of antechamber.c properly, exit.
And some more question, is this molecule suitable for running antechamber to find charge and then parametize it using gaff?
I attached my pdb file with it.
Regards
min
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- application/octet-stream attachment: c.pdb
Received on Wed Nov 09 2011 - 11:00:05 PST
