vacuo directive in MD

5:26:32 PM PDT - Thu, Aug 25th 2011
In the MD part of the manual, it says that vacuo directive disables periodic boundary conditions. But I still get a PBC box by using vacuo directive, though the box dimension is very large. I am wondering if this box affect calculation results. Thanks Roy

2:06:44 PM PDT - Fri, Aug 26th 2011
There will always be box defined around a system, even if no PBC are used. If you simulation is reporting zero pressures that is an indication that PBC are disabled.