[gmx-users] How to make the broken molecule into one
Mark.Abraham at anu.edu.au
Fri Jul 27 07:38:30 CEST 2012
On 27/07/2012 2:08 PM, radhika jaswal wrote:
> Just read, http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions. But could not get it.
> Please suggest hoe to fix the visual issues with the molecule being broken into two parts in the final simulation.
There's a suggested workflow on that page. There is no magic way to make
things look how you want that works in all cases, so mdrun makes no
attempt. So thinking and reading and experimenting based on that
workflow are needed.
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