pretty slow script under development to check force definition, gives an idea of which direction to translate for ligand to find lower energy coulombic sites, set up to test for PbS111 Lead Acetate system
pretty slow script under development to check force definition, gives an idea of which direction
to translate for ligand to find lower energy coulombic sites, set up to test for PbS111 Lead Acetate
system

joshgabriel/MPInterfaces,henniggroup/MPInterfaces,joshgabriel/MPInterfaces,henniggroup/MPInterfaces