> On May 5, 2017, at 3:38 AM, Andrea Spitaleri <andrea.spitaleri.iit.it> wrote:
>
> 2. using parmed to get the aforementioned dihedral angles:
>
> (.O.C.N.H)&:1|:2
>
> give me back several results. How can I get *only" the info on O-C-N-H?
The printDihedrals command takes anywhere between 1 and 4 separate masks. So if you want just the info on O-C-N-H, use this command:
printDihedrals .O .C .N .H
If you want it just for residues 1 and 2, change that to
printDihedrals :1-2.O :1-2.C :1-2.N :1-2.H
HTH,
Jason
--
Jason Swails
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 05 2017 - 12:00:02 PDT
