Re: [gmx-users] NEUTRALISED CHARGES

Marius Retegan wrote: There is a log attached in the first e-mail. My first reaction was the same. Why 14 :). Ah, that would make sense. May I suggest a tip to all users: don't send attachments when it is just as simple to copy and paste text into an email. I often see small attachment fi

Re: [gmx-users] NEUTRALISED CHARGES

There is a log attached in the first e-mail. My first reaction was the same. Why 14 :). Marius On Mon, Apr 6, 2009 at 1:10 PM, Justin A. Lemkul wrote: > > > Pawan Kumar wrote: > >> Hi, >> >> You should add 14 cl ions. >> > > Why 14? The number of Cl- ions that are necessary is pretty much spel

Re: [gmx-users] NEUTRALISED CHARGES

Pawan Kumar wrote: Hi, You should add 14 cl ions. Why 14? The number of Cl- ions that are necessary is pretty much spelled out by grompp, and the net charge of the system is printed in the .top (qtot section in [atoms]). If your system has a net charge of +2, add 2 Cl- ions, and so forth

Re: [gmx-users] NEUTRALISED CHARGES

Hi, You should add 14 cl ions. Regards, Pawan On Mon, Apr 6, 2009 at 12:26 PM, akalabya bissoyi < bissoyi.akala...@gmail.com> wrote: > hello gromacs > i am trying to minimise my protein-ligand complex in gromacs.but it shows > that system has non zero charge > can any body says how much *cl ion

[gmx-users] NEUTRALISED CHARGES

hello gromacs i am trying to minimise my protein-ligand complex in gromacs.but it shows that system has non zero charge can any body says how much *cl ion*, i have to add to neutralised it. i am terminal window text. thank u -- AKALABYA BISSOYI N.I.T.Rourkela system Description: Binary data