Hi,
It should be no problem to run any number of 'hbond' calculations in a
single run. When you say the script is not running, what do you mean
exactly? Is there an error/warning? Does it crash? Also, what version
of cpptraj are you using?
-Dan
On Mon, Feb 14, 2022 at 12:18 PM Lara rajam <lara.4884.gmail.com> wrote:
>
> Dear AMber
> I am trying to calculate the multiple specific hbond in the single run.
> How to give the syntax ?
> For example
>
> hbond MyHB distance 3.5 angle 135 :1,78 out 178xnhb.dat avgout
> 178xavghb.dat nointramol series
>
>
> hbond MyHB distance 3.5 angle 135 :3,78 out 378xnhb.dat avgout
> 378xavghb.dat nointramol series
>
>
> When I give like this the script is not running
>
> Any help is appreciated !
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Received on Mon Feb 14 2022 - 11:00:02 PST
