Dear AMBER users!
The problem, I've meet concerns periodic boundary conditions in SANDER
run. As result of long run SANDER can push some molecules (in my case it
was one of two DNA strand) into neighboring cell. PME method was also
used. Maybe this is the reason of wrong coordinates assignment. How can
I easily correct this bug e.g. return missing molecule in the home
cell? Thanks for your help!
Alex Issanin.
Received on Tue Feb 22 2000 - 05:45:28 PST
