[gmx-users] Build thin film.

Dallas Warren dallas.warren at monash.edu
Sun Nov 26 22:37:22 CET 2017

You can do whatever you want, and there are many tools to help you do that.

Couple of options are using gmx insert-molecules (constrain the box
size to make the film, then enlarge afterwards to insert other
molecules), gmx genconf (just stack as required, some initial care
with runs will be required to get to correct size/density), or packmol
Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a nail.

On 24 November 2017 at 03:51, ali akgün <ali.akgunphys at gmail.com> wrote:
> I have a pdb file can i build thin film  ?
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