Re: [gmx-users] Counterions: influence on protein dynamics.

Maxim Fedorov wrote: Dear all, I am doing MD simulations of some polypeptide chains. These polypeptides have non-zero net charge; therefore, I should add some counterions into the box to use the PME. I am wondering – is there an elegant way to reduce influence of these counterions on polypept

[gmx-users] Counterions: influence on protein dynamics.

Dear all, I am doing MD simulations of some polypeptide chains. These polypeptides have non-zero net charge; therefore, I should add some counterions into the box to use the PME. I am wondering – is there an elegant way to reduce influence of these counterions on polypeptide dynamics? Until now