Dear Amber Developers,
I am trying to use Antechamber to generate a partial charge of PCBM
molecule ( C72H14O2) with the command :
$AMBERHOME/bin/antechamber -i pcbm1.pdb -fi pdb -o pcbm.mol2 -fo mol2 -c
bcc -s 2 -j 5
but I found the following informations :
Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (
ID:16, Name: C16 ).
Automatically increasing to ...
.....
.....
.....
Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (
ID:16, Name: C16 ).
Automatically increasing to 1409280000.
Segmentation fault ( core dumped).
Thanks.
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- application/octet-stream attachment: pcbm1.pdb
Received on Thu Nov 15 2018 - 05:30:02 PST
