Re: [gmx-users] Error while using grompp

Yes, I tried using Verlet cutoff scheme but, its giving me error that cut-off is smaller than half box vector, which implies that I am making some error in the simulation (though I followed everything given on that tutorial) or probably few tweaks in the .mdp or some file might help. I will be

[gmx-users] Error while using grompp

Dear users, I am trying to go through all the steps given in tutorial " http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/Topology_preparation%2c_%22What's_in_a_log_file%22%2c_basic_performance_improvements%3a_Mark_Abraham%2c_Session_1A" and the moment I enter

Re: [gmx-users] Error while using grompp

Thanks a lot! On Thu, Sep 3, 2015 at 8:13 PM, Mark Abraham wrote: > Hi, > > Some of the default behaviour of GROMACS has changed since I wrote that > tutorial, and I haven't updated it, sorry. You can add "cutoff-scheme = > Group" to em.mdp, as a workaround > > Mark >

Re: [gmx-users] Error while using grompp

Hi, Some of the default behaviour of GROMACS has changed since I wrote that tutorial, and I haven't updated it, sorry. You can add "cutoff-scheme = Group" to em.mdp, as a workaround Mark On Thu, Sep 3, 2015 at 4:36 PM Sabyasachi Sahoo wrote: > Dear users, > I am trying