Hi, Everyone,<br> 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:<br> Fatal error: ci = -2147483648 should be in 0 .. 1457.
<br> Everything is OK before the shift. <br> Then where might be the problem?<br> 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.
<br> Thanks in advance.<br> Yours Sincerely,<br> WU Yanbin<br> <br>