VMD-L Mailing List

From: Pavan Miriyala (pavan.kumar9111_at_gmail.com)
Date: Sun May 11 2014 - 23:37:19 CDT

Dear axel,
             I suspect that the atoms designated "O1 to O8 and SI1 to SI4
" are causing this error. Instead it should have two atom types to use
properly with any potential.

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

On Sun, May 11, 2014 at 8:14 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

>
>
>
> On Sun, May 11, 2014 at 9:53 AM, Pavan Miriyala <pavan.kumar9111_at_gmail.com
> > wrote:
>
>> Dear sir/madam,
>> I'm studying graphene-SiO2 interface properties using LAMMPS
>> software. To prepare the data files for SiO2 and graphene I preferred VMD.
>> Then I merged them using merge structures. In the data file of SiO2 the
>> data is like this
>>
>>
>
> ​a) this is a LAMMPS and not a VMD question
> b) this error has nothing to do with the data file.​
>
>
>
>> When I'm using tersoff potential it is giving me an error
>> ERROR: Incorrect args for pair coefficients (../pair_tersoff.cpp:275)
>>
>> Please help.
>> Thanks & Regards,
>> Venkata Pavan Kumar. Miriyala
>> pavan.kumar9111_at_gmail.com,
>> contact number: +91-9032307746
>>
>>
>
>
> --
> 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.
>