Thanks Sir.
On Thu, Mar 22, 2018 at 5:34 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Thu, Mar 22, 2018, Rana Rehan Khalid wrote:
> >
> > I generated the prep file (antechamber -i name.log -fi gout -o name.prepi
> > -fo prepi -c resp -s 2) can I convert it from prep to mol2 file. Thanks
>
> I'd use tleap for this:
>
> loadAmberPrep name.prepi
> list <- to double check on the name of the unit in the prepi file
> saveMol2 <name> name.mol2
>
> Of course, its probably even simpler to just create the unit as a mol2
> file in the first place: use "-o name.mol2 -fo mol2" in the command
> cited above.
>
> [We encourage people to avoid using the prepi file format when
> possible.]
>
> ....dac
>
>
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Received on Thu Mar 22 2018 - 06:00:03 PDT
