On Thu, Mar 05, 2015, Zhang, Sixue wrote:
>
> I used autoimage command in cpptraj, it doesn't bring the box back to
> the rectangular shape as I defined.
> What else wrapping command can I try besides adding iwrap=1 in the input file?
Sounds like this is not a wrapping problem. What is the density of your
simulation? If it is much less than 1 gm/cc, you might be getting some odd
shapes. Otherwise, we would need to see a small example that illustrates the
problem (and allows us to reproduce it).
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 05 2015 - 05:30:10 PST
