Re: [gmx-users] walls and E-z

I'll just reply here, since I seem to be unable to respond to Berk's message on redmine. On Fri, Nov 10, 2017 at 1:12 AM, > wrote: Issue #2291 has been updated by Berk Hess.

Re: [gmx-users] Ewald summation in 2 dimensions with correction

Hi, Just wanted to see if anyone had any thoughts... For more information, if I use: wall-ewald-zfac = 3 E-z= 1 5 0 The electric field from ionic liquid has a magnitude of 7.5 V/nm in the opposite direction to the applied electric field. This makes no sense to me at all.

[gmx-users] Metal Ion Modelling

Dear GMX community, I want to simulate a long simulation of enzyme, ligands and metal cofactor (Mg2+), we also have NACL salt in the environment. I know that there are three model of metal ion: Bonded, Nonbonded, and Cationic Dummy atom. So which model for Mg2+ should I use in this case? Thank you