Dear Pr.Case,
many thanks to your email.
I have AmberTools18.
Le lun. 19 nov. 2018 à 14:28, David A Case <david.case.rutgers.edu> a
écrit :
> 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 - 11:30:03 PST
