parm complex1_sol.prmtop
trajin prod.nc
hbond donormask :2-22 acceptormask :2-22&!.H avgout
hoogsteen_occupancy1.dat
hbond donormask :2-22 acceptormask :2-22&!.H dist 3.5 angle 135.00 avgout
hoogsteen_occupancy.dat
Sir this is the input I have used in AMBER18.
On Wed, 24 Jun 2020 at 17:51, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> It would help us diagnose your issue if you posted the exact input you
> were trying. Also what version of cpptraj you are using.
>
> -Dan
>
> On Sat, Jun 20, 2020 at 1:21 AM Jisha B <jisha.b.k0511.gmail.com> wrote:
> >
> > Dear all,
> >
> > Is there a specific input to find the hoogsteen hydrogen bond percentages
> > in the system? Or should we use the common hydrogen bond input. I have
> been
> > getting a bizzare result while doing so. The percentage of bonds starts
> > from 99 and gradually decreases to 20% in the output when I use the
> normal
> > h-bond input. I suspect that my input is wrong.
> > Please advise. Any help would be appreciated.
> >
> > Thanks
> > Jisha
> >
> > --
> > Jisha B.
> > G-Tech Computer Education,
> > Kerala,
> > India.
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jisha B.
G-Tech Computer Education,
Kerala,
India.
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Received on Wed Jul 01 2020 - 08:30:03 PDT
