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From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Mar 30 2012 - 12:46:52 CDT
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- In reply to: Denis Davydov: "bondsrecalc question"
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On Fri, Mar 30, 2012 at 12:10 PM, Denis Davydov
<denis.davydov_at_ltm.uni-erlangen.de> wrote:
> Dear VMD users,
>
> I have a question with regards to 'bondsrecalc' command.
> Is there a way to force 'bondsrecalc' to create bonds
> treating periodic boundary conditions ?
no. you'd have to first replicate your coordinates
and then determine which bonds to atoms are bonds
to images and map them back to the original.
axel.
> I input data using 'topo readlammpsdata charge' and
> would like to set up bonds, and then - angles using
> 'topo guessangles'
>
>
> p/s/ I'm creating an input to LAMMPS for a-quartz with
> defined bonds/angles.
>
>
> Thank you in advance,
>
> Kind regards,
> Denis.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
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