Re: [gmx-users] Coulomb energy with cutoff-schemes verlet and

Hi, ok, I have filed an issue. Thanks! Serena > Hi, > > That sounds very strange. Can you please file an issue at > https://redmine.gromacs.org and attach your tpr files so we can try to > reproduce it? > > Thanks, > > Mark > > On Mon, Mar 13, 2017 at

[gmx-users] Coulomb energy with cutoff-schemes verlet and group

behaviour? How could I set the mdp options with verlet to avoid this? Thanks! Serena -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

[gmx-users] contacts per residue in g_mindist

dex? As a minor issue, I assume that PRO9 etc. are the data series names, but they do not automatically appear on the plot (in grace). Although I can fix this by hand, it might become pretty tedious if the groups become bigger. Any hint on how to solve it? Thanks everybody and have a great d

[gmx-users] problem with tutorial KALP-15 in DPPC

Hi all I'm doing the GROMACS tutorial KALP-15 in DPPC. I've done the steps until the energy minimization, so now I've my system at an energy minimum and I'm doing the equilibration with this nvt.mdp: define = -DPOSRES ; position restrain the protein and lipid ; Run parameters integrator