On Tue, Jan 17, 2017, Aseel Bala Ahmed wrote:
> I created a molecule (methanol) in xleap and now I am trying to use
> antechamber to create the mol2 files. I tried the following on both xleap
> and tleap:
>
> loadPdb moh.pdb (worked successfully)
> antechamber -i moh.pdb -fi pdb -o moh.mol2 -fo mol2
Antechamber is a program that must run from the command line. It is not
a command that you run inside tleap or xleap.
The second line above should be OK if you type is on the command line, but
it will not give you any charges. Consider adding "-c bcc" to get a charge
model.
....dac
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Received on Wed Jan 18 2017 - 05:30:03 PST
