:)))
trajin md.binpos
hbond out N_H1_OXT.out donormask :1.N donorhmask :1.H1 acceptormask :6.OXT
series hbt
yes, I got an error message
" Error: Could not initialize action [hbond]
1 errors encountered reading input."
On Sat, Oct 17, 2015 at 5:09 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Sat, Oct 17, 2015 at 11:05 AM, Hadeer ELHabashy <
> hadeer.elhabashi.gmail.com> wrote:
>
> > Dear Dr. Danial
> >
> > Thanks for help
> > I have checked cpptraj 'hbond', section 29.9.25. upon your recommendation
> > and I came up with this lines for cpptraj
> >
> > trajin 2y3j_pc_md.crd
> > hbond out N_H1_OXT.out donormask :1.N donorhmask:1.H1 acceptormask
> :6.OXT
> > series hbt
> >
>
> You need a space between donorhask and :
>
>
> > what do you think may be wrong or missing in the second line ?!
> >
>
> Did you get an error when you tried to use it? If so, what was the error
> message? I prefer video games to guessing games myself :).
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Sat Oct 17 2015 - 08:30:06 PDT
