VMD-L Mailing List

From: Moslem Sabouri (sabouri.moslem_at_gmail.com)
Date: Sun May 23 2010 - 04:46:17 CDT

Hi,
I have 2 problems with the "LAMMPS Trajectory" format in VMD.
1- In the code that I'm working on, the type of an atom can change during
the simulation. for example the atom #100 which is of the type 1 in the
first step, may change in type 2 in the step #500. But although the LAMMPS
format takes the type of each atom in each step, it uses the type in first
step for all slides. How can I use the types at each step for coloring the
atoms?
2- Although this format contains the number of atoms for each step, I
observed that change in the number of atoms in different steps causes an
error in loading the trajectory file. How can I use this format for a
variable number of atoms?
Finally, if these are not possible with LAMMPS format, could you please
introduce a suitable format and a refrence in which different VMD formats be
explaind?
Thanks in advance.
M. Sabouri*
*