Hi all,
I want to simulate a coalition of nanoparticles and include a harmonic
potential in distance between the centers mass of the nanoparticles
using the colvars package. But when I run following scrip appears this
error.
ERROR: Fix colvars requires an atom map (../fix_colvars.cpp:421)
Can you help me with this problem?
Please see below the imput and the colvars files for the run
Imput file is as follow...
Hi all,
I want to simulate a coalition of nanoparticles and include a harmonic
potential in distance between the centers mass of the nanoparticles
using the colvars package. But when I run following scrip appears this
error.ERROR: Fix colvars requires an atom map (../fix_colvars.cpp:421)
Can you help me with this problem?
you could have easily helped yourself by using google through searching
for:
atom map site:lammps.sandia.gov
where the first hit already would point you to this web page:
http://lammps.sandia.gov/doc/atom_modify.html
which provides the information you are looking for.
axel.