What is the whole output? I think cpptraj usually prints hints about what
error it encountered.
On Sat, Oct 17, 2015 at 11:14 AM, Hadeer ELHabashy <
hadeer.elhabashi.gmail.com> wrote:
> :)))
>
> 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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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
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>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Oct 17 2015 - 08:30:07 PDT
