Dear all,
I try to generate mol2 file using antechamber. Command below:
antechamber -i CB6.pdb -fi pdb -o CB6.mol2 -fo mol2 -c bcc -s 2
It's giving me standard respond:
Running: /home/mauram/amber16/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
Running: /home/mauram/amber16/bin/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 516; net charge: 0
Running: /home/mauram/amber16/bin/sqm -O -i sqm.in -o sqm.out
But then multitude of lines like this shows up and program stops:
Info: the number of the path atoms exceeds MAXPATHATOMNUM(145000) for
atom[32],extend the size and reallocate the memory automatically
I am using AmberTools16. Molecule has 108 atoms.
Any help will be appreciated,
--
********************************************************
Maura Malinska, Ph.D.
Senior Research Associate
mmalinska.chem.uw.edu.pl
Faculty of Chemistry, University of Warsaw
Pasteura 1, 02-093 Warsaw, Poland
+48 22 552 63 56
http://crystal.chem.uw.edu.pl/
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Received on Wed Apr 12 2017 - 07:30:03 PDT
