Page 1 of 1
how to wrap atoms
Posted: Sun Aug 05, 2012 6:21 am
by nasridine
I ran AIMD simulation for a system with a metal ion and 64 waters. When I visualize the trajectory, the ion is sitting at the corner of the simulation box. Is there a way to wrap the atoms and have the ion at the center of the water box if I know the dimensions of the simulation box?
Re: how to wrap atoms
Posted: Thu Sep 12, 2024 7:38 am
by support_vasp
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP