[gmx-users] g_membed mdp file

Hamid Zaree hamidzaree11 at gmail.com
Tue Dec 31 11:48:48 CET 2019


Hi.
You can use INFLATE-GRO or INFLATE-GRO2 provided in youtube.
using INFLATE-GRO is somehow easy but used for uniform membrane.
If you want to use INFLATE-GRO2, you must have a basic knowledge of perl
programming language,
Open INFLATE-GRO2 with a text editor and somewhere in the middle of it,
there is a line of code that declares the GROMACS package. Go and change it
to where your GROMACS package is installed.
INFLATE-GRO2 is written for GROMACS4. By this method you can run on gromacs
5.
Regards.
H.Z.

On Tue, Dec 31, 2019, 13:41 Yogesh Sharma <yogesh.rma13 at gmail.com> wrote:

> Hello users
>
> If someone is working on membrane protein. I am looking for sample mdp file
> for g_membed compatible with gromacs5. I used mdps available in original
> references (http://wwwuser.gwdg.de/~ggroenh/membed.html) but those seems
> to
> be totally outdated.
>
> *with  regards*
> *Yogesh Sharma*
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