i am using amber 16 program
On Wed, Jul 5, 2017 at 7:49 AM, David A Case <david.case.rutgers.edu> wrote:
> On Tue, Jul 04, 2017, Rana Rehan Khalid wrote:
>
> > I use this command to convert NITRIC OXIDE containing pdb file to mol2
> >
> > antechamber -fi pdb -fo mol2 -i NIT.pdb -o NIT.mol2 -pf y
>
> Note that you did not request any charge calculation (via the "-c" flag).
>
> > .<TRIPOS>ATOM
> > 1 N01 4.0110 18.9270 70.5450 NIT 187 NIT
> 0.000000
>
> This is most odd: antechamber somehow assigned "NIT" to all atom types(!)
> Which version of AmberTools are you using? Can you post the NIT.pdb file?
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 05 2017 - 08:00:04 PDT
