|From:||Jana Pritam <pritam.jana@...3660...>|
|Date:||Mon, 19 Jun 2017 08:58:52 +0000|
Thank you very much. I checked the initial geometry and the box dimension. They are fine. What I understood from the simulations, when I run with NVT, there is no such kind of error. When I use NPT simulations, volume of the box is changed to obtain the required pressure and the error appears.