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

2011-04-27 Thread Erik Marklund
Mark Abraham skrev 2011-04-27 03.01: On 4/27/2011 5:13 AM, shivangi nangia wrote: 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 char

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

2011-04-26 Thread Mark Abraham
On 4/27/2011 5:13 AM, shivangi nangia wrote: 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