Dear all,
I am using topo tools plugin in vmd to generate lammps data file. The number of atom types are same as that present in my polymer system. But the number of bond types, angle and dihedrals types are very high than the types present in the polymer system.
There are certain bond, angle and dihedral types which does not exists in the polymer system. I face this problem when the polymer chains are very closely packed.
Any suggestions to overcome this issue.
Thank you,
Dear all,
I am using topo tools plugin in vmd to generate lammps data file. The
number of atom types are same as that present in my polymer system. But the
number of bond types, angle and dihedrals types are very high than the types
present in the polymer system.There are certain bond, angle and dihedral types which does not exists in
the polymer system. I face this problem when the polymer chains are very
closely packed.
you have to provide more specific information. your description is very vague.
please keep in mind that topotools is no magician and is totally
ignorant of any kind of force fields. what it does is to process
information that you provide. the less useful information you provide,
the higher the chance that VMD we guess what is missing and that it
guesses wrong. at that point is topotools helpless, you have to make
sure that the information it processes is correct.
how it works and what kind of strategy its code follows is explained
on my homepage. the tutorials show some examples how to augment or
correct the information that VMD guesses.
axel.