Re: [gmx-users] genion -conc give the wrong number of multi-valent counter ion

Hi, In general, run "gmx help tool" to see how the tool should be run, here to see that there's an option for you to choose a non-default charge Mark On Fri, 16 Jun 2017 14:21 Justin Lemkul wrote: > > > On 6/16/17 7:14 AM, Quyen V. Vu wrote: > > Dear GMX developer, > > I

Re: [gmx-users] genion -conc give the wrong number of multi-valent counter ion

On 6/16/17 7:14 AM, Quyen V. Vu wrote: Dear GMX developer, I don't know this mailing list is suitable for posting issue or not, if not- forgive me. I want to report about gmx genion module If i want to add concentration of salt by -conc option, it just correct for monovalent salt (eg. NACL).

[gmx-users] genion -conc give the wrong number of multi-valent counter ion

Dear GMX developer, I don't know this mailing list is suitable for posting issue or not, if not- forgive me. I want to report about gmx genion module If i want to add concentration of salt by -conc option, it just correct for monovalent salt (eg. NACL). For multivalent salt(MGCL2), if I use