VMD-L Mailing List

From: karthik kumar (karthik3327_at_gmail.com)
Date: Tue Sep 02 2014 - 08:08:58 CDT

Write a simple TCL script which loop over the indices of all the atoms in
a molecule

If N is the total number of atoms

TCL script look like this

 for ( i=0 ; i< N -2 ; i++ )

     measure angle i,i+1,i+2

Karteek

On Tue, Sep 2, 2014 at 5:41 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.
>
>
> 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.
>>
>
>