VMD-L Mailing List

From: Kevin C Chan (cchan2242-c_at_my.cityu.edu.hk)
Date: Sun Jun 21 2015 - 02:56:21 CDT

Dear Users,

I am confused by the options of the PBC tool. Currently I have last frame
of a membrane in water simulation. As I have turned on "Wrap ALL" during
simulation, the system "trapped" inside a box and now water is in the
middle of the box and two layers of membrane are splitted into the top and
bottom. I would like to unwrap this thing back to my initial configuration
- two-layer in the middle and water above and below so what should feed to
pbc unwrap?

I have made tons of trials and still cannot work out. I will appreciate any
help.

Thanks in advance,
Kevin
City University of Hong Kong