Thanks, Jason. I did not explicitly provide a receptor_mask. I assume in
my case, it would be :1-342
I looked at the log file and its best guess seems to have worked well. I
will check and the results and see if they make sense.
thanks again,
Shashi
On Sun, Jul 28, 2013 at 4:34 PM, Jason Swails <jason.swails.gmail.com>wrote:
>
> >
>
> Did you provide a receptor_mask? Unless you provide both a ligand_mask and
> a receptor_mask, MMPBSA.py will simply use its best guess.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Shashidhar N. Rao
3 SERINA DRIVE
PLAINSBORO
NEW JERSEY 08536 USA
shashidharr.gmail.com
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jul 28 2013 - 15:00:03 PDT
