VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Fri May 27 2016 - 11:10:05 CDT

Dear All!

I have run a simulation in NAMD using "wrapAll on". I'm simulating a
complex of three chains.
In one simulation (out of 14) I get large jumps, such as these
<https://gfycat.com/CapitalHollowAmmonite> (link to movie)
<https://gfycat.com/CapitalHollowAmmonite>:

I have tried "pbc unwrap", "pbc wrap" and "pbc join", but Ihave yet to find
the right combination of these command to correctly unwrap all three chains--001a1134f436d435990533d523b3--