Re: [gmx-users] Build thin film.

2017-11-27 Thread ali akgün
Thank you :)

On Sun, Nov 26, 2017 at 11:36 PM, Dallas Warren 
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.war...@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  wrote:
> > I have a pdb file can i build thin film  ?
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> >
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> >
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> send a mail to gmx-users-requ...@gromacs.org.
> --
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>
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Re: [gmx-users] Build thin film.

2017-11-26 Thread Dallas Warren
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.war...@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  wrote:
> I have a pdb file can i build thin film  ?
> --
> Gromacs Users mailing list
>
> * Please search the archive at 
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a 
> mail to gmx-users-requ...@gromacs.org.
-- 
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[gmx-users] Build thin film.

2017-11-23 Thread ali akgün
I have a pdb file can i build thin film  ?
-- 
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