[gmx-users] genbox

[Pedro Alexandre de Araujo Gomes Lapido Loureiro]

> > >Hello,
> > >
> > >I was not able to insert even a single molecule with the option -ci
> > (genbox).
> > >Does anybody have some experience with that option?
> > 
> > Is your target system too dense?
> > genbox -cp out.gro -ci tfe.gro -o mshtfe1.gro
> > 
> > Groeten, David.
> 
> No. In fact, I am solvating a peptide (out.gro) in a box with water and TFE
> (tfe.gro).
> With the option -ci, I am using only one molecule because the manual (pg.
> 216)
> says so.
> The command line is:
> genbox -cp out.gro -ci tfe.gro -o mshtfe1.gro
> 
> Cheers, Pedro.
> 
> --
> Pedro Alexandre Lapido Loureiro
> Laboratório de Física Biológica
> Instituto de Biofísica
> UFRJ
> Brasil 
> 


--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil