[gmx-users] Difference between pbc=full and pbc=xyz

[WU Yanbin]

Hi, Everyone,
  I'm simulating a infinite polymer and so I set "pbc=full". After I shift
some atoms by box size, the energy minimization just broke down. The error
message is just like the following:
  Fatal error: ci = -2147483648 should be in 0 .. 1457.
  Everything is OK before the shift.
  Then where might be the problem?
  And still I donot know the details of "pbc=full". What's the difference
between "pbc=full" and "pbc=xyz"? As I guess the problem might be from here.
  Thanks in advance.
                                    Yours Sincerely,
                                                 WU Yanbin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070812/ad0fd131/attachment.html>