[gmx-users] Replicate a structure

Devargya Chakraborty devargyachakraborty.kgp at gmail.com
Tue Mar 10 15:45:03 CET 2020


Then my command would be gmx genconf -f system.gro -nbox 2 1 1 -o
new_system.gro right??

On Tue, Mar 10, 2020, 6:01 PM John Whittaker <
johnwhittake at zedat.fu-berlin.de> wrote:

> Probably better to use gmx genconf; This situation is probably its main
> purpose.
>
> - John
>
> > Gmx editconf you can use with -translate flag...after that merz the
> > coordinates of two water droplets. I hope this may help you.
> >
> > On Tue 10 Mar, 2020, 9:35 AM Devargya Chakraborty, <
> > devargyachakraborty.kgp at gmail.com> wrote:
> >
> >> I have an equilibrated droplet of water. What I want to do is replicate
> >> that droplet in the x direction. So that my simulation box will carry
> >> two
> >> water droplets. Is that possible in gromacs. If yes please guide me.
> >>
> >> Thank you
> >> Devargya Chakraborty
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