[gmx-users] Error while using grompp

[Sabyasachi Sahoo]

Thanks a lot!

On Thu, Sep 3, 2015 at 8:13 PM, Mark Abraham <mark.j.abraham at gmail.com>
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
>
> On Thu, Sep 3, 2015 at 4:36 PM Sabyasachi Sahoo <ssahoo.iisc at gmail.com>
> wrote:
>
> > 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 the command:
> >
> > grompp -f em
> >
> > I get the following error:
> >
> > ERROR 1 [file mdout.mdp]:
> > With Verlet lists only full pbc or pbc=xy with walls is supported
> >
> > Has this error got something to do with the way I built my Gromacs? Any
> > help por insight to the matter is appreciated!
> > Thanks in advance!
> > --
> > Yours sincerely,
> > Saby
> > --
> > 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
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> 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
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Yours sincerely,
Sabyasachi Sahoo
M. Tech - Computational Science
Supercomputer Education & Research Center
Indian Institute of Science - Bangalore