[votca] Table.xml for force-match

Hello, I have a few questions about getting potential tables from force-matching and finally converting it to table.xvg format using table.xml. 1) The example table.xml in the votca manual (Chapter 4) has the details of the required table.xvg file within the block. If I am not mistaken,

Re: [votca] Issue with pbc

Thanks. On Monday, 5 June 2017 11:39:23 UTC-4, Christoph Junghans wrote: > > 2017-06-05 7:20 GMT-06:00 M. Chakraborty : > > > Thanks for your reply. However, my problem is not broken > atoms/molecules. I > > expect to see broken molecules at the boundary when pbc is set.

Re: [votca] Issue with pbc

2017-06-05 7:20 GMT-06:00 M. Chakraborty : > Thanks for your reply. However, my problem is not broken atoms/molecules. I > expect to see broken molecules at the boundary when pbc is set. But for my > simulation, the molecules are intact but they are moving beyond the box >

Re: [votca] Issue with pbc

Thanks for your reply. However, my problem is not broken atoms/molecules. I expect to see broken molecules at the boundary when pbc is set. But for my simulation, the molecules are intact but they are moving beyond the box even though pbc is set. On Friday, 2 June 2017 18:23:05 UTC-4,