VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Thu Apr 19 2018 - 18:58:57 CDT

It will help if unwrap is giving nonsense. See the documentation for the syntax (http://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/). There is also Jerome's faster C-based wrapping approach to try as well (https://github.com/jhenin/qwrap), which has the same limitations. To be honest though, 99% of the time I hide waters when I'm making animations, since water dynamics are just hard to show in general, since all water molecules look the same--_000_DM6PR09MB2922A0E09C476DB655339457E4B50DM6PR09MB2922namp_--