[gmx-users] Re: How to can i replace a molecule

[Dr. Vitaly Chaban]

>
> Dear All users
>
> How to can i replace a molecule(for example methane) with another
> molecule(propane)?
> Number of these molecules are given and their position is random,
>
> Can I use genbox or genion, How to do i do it?
>

Since propane is significantly larger than methane, it is impossible
without blowing up your system.

I would remove methanes by hand and then insert propanes using any
utility you like, but you will need to increase your box to provide
more space.



-- 
Dr. Vitaly V. Chaban
MEMPHYS - Center for Biomembrane Physics
Department of Physics, Chemistry and Pharmacy
University of Southern Denmark
Campusvej 55, 5230 Odense M, Denmark