VMD-L Mailing List

From: Dian Jiao (oscarjiao_at_gmail.com)
Date: Thu Jun 28 2012 - 13:46:00 CDT

Hi VMDers,

I was trying to load a trajectory in the format of xmol. The system
consists a metal ion and 64 waters. In VMD, the metal ion appears at the
corner of the box and some of the water o-h bonds are broken with OH on one
side and H on the other side. I thought the pbc wrap command would fix
this, but it didn't work as I expected. What is the right command to get
everything wraped properly in a box centered at the metal ion?

DJ