[gmx-users] Build thin film.

ali akgün ali.akgunphys at gmail.com
Mon Nov 27 19:48:11 CET 2017


Thank you :)

On Sun, Nov 26, 2017 at 11:36 PM, Dallas Warren <dallas.warren at monash.edu>
wrote:

> 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
> (http://www.ime.unicamp.br/~martinez/packmol/home.shtml)
> 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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