VMD-L Mailing List

From: Denis Davydov (denis.davydov_at_ltm.uni-erlangen.de)
Date: Fri Mar 30 2012 - 11:10:14 CDT

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 ?

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.