[gmx-users] Placing anion/cation at a particular distance from peptide

shivangi nangia shivangi.nangia at gmail.com
Tue Apr 26 21:13:01 CEST 2011

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

Is there an easy way to specify the distance of the anions to be added from
the peptide ?

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