Hi,
On Wed, Nov 8, 2017 at 7:17 AM, Mustafa Alhaji Isa
<mustafaisa.unimaid.edu.ng> wrote:
>
> PTRAJ: hbond all out hbond.agr :19, 88, 128.C,O,N,H time 20.00
To use this form of the 'hbond' command (determining donors/acceptors
automatically from atom mask) you'll need to use cpptraj. Cpptraj is
freely available with AmberTools or from a GitHub repository:
https://github.com/Amber-MD/cpptraj
Also, either remove the spaces from your atom mask expression or
enclose the expression in quotes.
-Dan
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 08 2017 - 09:00:02 PST
