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,

Re: [votca] Issue with pbc

2017-06-02 13:16 GMT-06:00 M. Chakraborty : > This might me be more of a gromacs problem but still I am posting it here. I > ran a CG simulation of methanol where I have used two bead representation > for each methanol molecule. I have used force-matching to generate