willting wrote:
Dear all,
When I use the command "editconf ",I don't know how to set the number
behind "d".
For example of /share/tutor/speptide,the number is 0.5,how to calculate
it ?
As you'd see from editconf -h, it's the distance from your solute to the
box you're creating. You need this at least as large as your longest
cutoff in order to implement the minimum-image convention, and you
should look at the recent literature for the sort of simulation you're
doing for some clues on how large people think you should be using. This
choice will strongly influence the cost and accuracy of your simulation.
Mark
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