Hello everybody, I want to use the no cut-off option in gromacs for the electrostatic interactions. In manual it says for this I need to define: pbc=no; nstlist=0; ns-type=simple and rlist=rcoulomb=rvdw=0 in the .mdp file.
My questions are: 1. If I choose rcoulomb=0 and rlist=rvdw=2.0 is that a problem? Do you always recommend to use rlist=rcoulomb=rvdw=0 for no cut-off option? 2. How should I choose the table-extension parameter now? Before, with pbc=xyz (with cut-off) I used table-extension=rvdw+1/2*length of the longest diagonal of the box (approximately). I am also using a tabulated potential. Thank you, -Swarnendu
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