Hello all,
I am trying to generate the topology file for a molecule of 8 glucose residues with 3 peptides attached to it. My purpose is to build a cellulose nanocrystal with peptides and minimize and carry out an MD simulation with Amber software.
I gave the following command:
antechamber -i new-chemx.pdb -fi pdb -o new-chemx.mol2 -fo mol2 -c bcc
And I got the following error messages:
The atom number exceeds the MAXATOM, reallocate memory
Info: the bond number exceeds MAXBOND, reallocate memory automatically
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
The frozen atom type can only be 1, 2, 3, 7 (aromatic single), 8 (aromatic double)Error: cannot run "/home/glenn/amber10_distribution/amber10/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in judgebondtype() of antechamber.c properly, exit
I attached my input files. Please let me know what causes this problem.
Thank you,
Monica C. Concha
Physical Science Technician
Cotton Structure and Quality Research
Southern Regional Research Center
1100 Robert E. Lee Blvd.
New Orleans, LA 70124
monica.concha.ars.usda.gov<mailto:monica.concha.ars.usda.gov>
phone: 504-286-4252
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Received on Wed Sep 25 2013 - 07:30:08 PDT
