[gmx-users] Error while using grompp

[Mark Abraham]

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
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