[gmx-users] What is the equivalent command for insert-molecules in Gromacs 3.3.1?

Mark Abraham mark.j.abraham at gmail.com
Sun Sep 15 21:11:20 CEST 2019


The file formats read by grompp haven't changed, so you can prepare your
system with a modern version of GROMACS, and call grompp for that old one.

But I have a hard time imagining a method that was implemented in 3.3.1
still being useful. Even an enhanced sampling method would have to deliver
a 10x benefit to overcome the improvements in raw simulation throughput
that modern GROMACS will get on modern hardware.


On Sat, 14 Sep 2019 at 23:00, ZHANG Cheng <272699575 at qq.com> wrote:

> Dear All,
> Due to a software that is only compatible to Version 3.3.1, I have to use
> that to prepare the simulation box. I was told "command not found” when
> using the insert-molecules.
> So what should I do to put multiple molecules in a box?
> Thank you!
> Cheng
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