On Thu, Nov 15, 2018, soukaina louerdi wrote:
>
>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 ).
Works fine for me with AmberTools18, although the warnings are slightly
different. Are you using an older version of AmberTools?
....dac
Note: apologies: looks like I never actually sent this message
earlier....
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Received on Mon Nov 19 2018 - 05:30:04 PST
