CCL: Antechamber Error
- From: "Padmaja dadasaheb Wakchaure"
<pdwakchaure25{}gmail.com>
- Subject: CCL: Antechamber Error
- Date: Sat, 23 Feb 2019 06:17:25 -0500
Sent to CCL by: "Padmaja dadasaheb Wakchaure"
[pdwakchaure25~!~gmail.com]
Respected sir/ma'm,
I am trying to make topology file for MgF3- with antechamber but
encountering following error.
Please suggest if there is any solution for this kind of problem. I will be
highly obliged for this.
Error
For atom[1]:MG, the best APS is not zero, bonds involved by this atom are
frozen
The frozen atom type can only be 1, 2, 3, 7 (aromatic single), 8 (aromatic
double)Error: cannot run "/opt/amber12/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in
judgebondtype() of antechamber.c properly, exit
Thanking you,
Regards,
Padmaja.