VMD-L Mailing List

From: Pavan Miriyala (pavan.kumar9111_at_gmail.com)
Date: Wed Sep 03 2014 - 01:21:35 CDT

thank you karthik and axel,
                                Axel, I think I have not communicated the
problem well, you are guiding me to find out angles when sheet has ideal
bonds and angles using programming or permutations. But in my case, the
ideal angle is 120, at the time step where crack propagation begins angles
will be in the range of 80-140. how I guess it mathematically or
programming ?
I want to know exact thing happened in sheet.
After trying few commands in the sense, not just trials :)

Thanks & Regards,
Venkata Pavan Kumar. Miriyala
pavan.kumar9111_at_gmail.com,
contact number: +91-9032307746

On Tue, Sep 2, 2014 at 7:12 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Tue, Sep 2, 2014 at 2:11 PM, Pavan Miriyala
> <pavan.kumar9111_at_gmail.com> wrote:
> > Dear Axel,
> > just like topo getanglelist, can we measure all the
> angles
> > in the molecule with out specifying three atoms using measure command.
> > Sorry, for disturbing you I have gone through the vmd user's guide and
> tried
> > few commands.
>
> you cannot learn these kind of things by just "trying a few commands"
> and waiting for a perfect solution to drop down on you. programming
> doesn't work like this and neither does research. you need to
> think(!!!) about your problem and solve it in steps.
>
> what you are asking for is not rocket science and the process of
> solving it yourself will also be highly educational and prepare you
> for solving the next and more complicated problem.
>
> axel.
>
> >
> >
> > Thanks & Regards,
> > Venkata Pavan Kumar. Miriyala
> > pavan.kumar9111_at_gmail.com,
> > contact number: +91-9032307746
> >
> >
> >
> > On Mon, Sep 1, 2014 at 6:49 PM, Axel Kohlmeyer <akohlmey_at_gmail.com>
> wrote:
> >>
> >> On Mon, Sep 1, 2014 at 2:36 PM, Pavan Miriyala
> >> <pavan.kumar9111_at_gmail.com> wrote:
> >> > Dear all,
> >> > How can we get bond angles and bond length distribution
> using
> >> > VMD
> >> > through lammps xyz trajectories. Is there any processing extension for
> >> > getting distribution of bond angles and lengths all over the sheet.
> >>
> >> i already answered your question on the LAMMPS mailing list.
> >>
> >> >
> >> > Thanking you
> >> >
> >>
> >>
> >>
> >> --
> >> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> >> College of Science & Technology, Temple University, Philadelphia PA, USA
> >> International Centre for Theoretical Physics, Trieste. Italy.
> >
> >
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>