Its been quite a while but its never too late to resume.
I've been trying to simulate a CNT with airebo and LAMMPS. Got an unstable system for atom_style molecular. So i changed it to atomic and (whoopie!) got a stable one. I still have to figure out how i should use airebo in a hybrid scheme.
Besides, the potential database provided by Medea Lammps isn't helping much at all. It seems to be missing some basic parameters. Until i can sort them out, i will have to use free LAMMPS. Luckily, i found a peptide example in the lammps folder which contained params for a lot of organic bonds. I guess I'll have to use that.
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