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 - 08:30:05 PDT
