Dear all,
I'm looking for a tool for creating input datafiles
of solvated (large) biomolecules, DNA in particular, possibly from
.pdb files... is there anything like that for LAMMPS?
Massimo
Dear all,
I'm looking for a tool for creating input datafiles
of solvated (large) biomolecules, DNA in particular, possibly from
.pdb files... is there anything like that for LAMMPS?
Massimo
The tools/ch2lmp directory has a Perl script that reads PDB files
and assigns CHARMM force field coefficients and writes
out input files for LAMMPS.
Steve