Dear gmx users, I need to design a starting configuration of a polypeptide with charged side chains sitting in a box of water with Cl- ions within 7 ang of its radius.
I realize that in such a system like charges will essentially prefer to be as far as possible from each other, but I still need the above stated configuration. Is there an easy way to specify the distance of the anions to be added from the peptide ? Thanks, SN
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