[gmx-users] Error while using grompp
mark.j.abraham at gmail.com
Thu Sep 3 16:43:14 CEST 2015
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
On Thu, Sep 3, 2015 at 4:36 PM Sabyasachi Sahoo <ssahoo.iisc at gmail.com>
> Dear users,
> I am trying to go through all the steps given in tutorial "
> 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,
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