Topotools -- Molecule ID problem

Dear all,
I am using TopoTools 1.4 with vmd1.9.1. to create a lammps data file. I would like to get correct molecule IDs in the data file. But, topotools print “1” in place of molecule IDs.

How can i get correct mol-ID in this column using TopoTools?

(This is necessary for me to run rigid body simulations)

Thanks in advance.

Regards,
Sandeep

Dear all,
                  I am using TopoTools 1.4 with vmd1.9.1. to create a lammps
data file. I would like to get correct molecule IDs in the data file. But,
topotools print "1" in place of molecule IDs.

this is more a VMD question than anything else. it would be better to
post to the VMD mailing list.

How can i get correct mol-ID in this column using TopoTools?

topotools can only use information that is made available. molecule
ids in LAMMPS are effectively arbitrary labels and do not necessarily
have to coincide with actual molecules. for that reason topotools uses
the resid field to assign the molecule id. so you have to properly set
that field in VMD before you write out your data file.

axel.

Dear Axel,
Thank you for the reply. Following your suggestion, I could solve the problem by re-defining resID.

Regards,
Sandeep