Hello Amber Users
As we know we amber forcefield is not supporting inorganic elements like
silica lattice. I obtained mol2 file and trying to get "prepi" file from
antechamber with this command:
" antechamber -i silica.mol2 -fi mol2 -o silca.prepi -fo prepi", but I got
this error message:
"Info: The number of bonds (512) exceeded MAXBOND.
---Judge bond type for Residue 1 with ID of 1 and Name of XXX ---
---Judge bond type for Residue 2 with ID of 2 and Name of XXX ---
---Judge bond type for Residue 3 with ID of 3 and Name of XXX ---
Floating point exception
/usr/local/amber16/bin/to_be_dispatched/antechamber: Fatal Error!
Cannot properly run "/usr/local/amber16/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac".
Is there anybody who can help me with this?
Thank you so much
Hadi
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Received on Tue Feb 19 2019 - 10:00:04 PST
