[gmx-users] g_membed in 5.1.4?

Mark Abraham mark.j.abraham at gmail.com
Sun Jan 29 15:18:46 CET 2017


Specifically
http://manual.gromacs.org/documentation/2016.1/user-guide/mdrun-features.html#running-a-membrane-protein-embedding-simulation

Mark

On Sun, 29 Jan 2017 11:51 Mark Abraham <mark.j.abraham at gmail.com> wrote:

> The docs got lost for a year. Look in the 2016 version.
>
> Mark
>
> On Sun, 29 Jan 2017 11:32 Albert <mailmd2011 at gmail.com> wrote:
>
> Unfortunately I didn't find anything about what's  ".dat"  should be,
> what's the format.
>
> The option -membed does what used to be g_membed, i.e. embed a protein
> into a membrane. This module requires a number of settings that are
> provided in a data file that is the argument of this option. For more
> details in membrane embedding, see the documentation in the user guide.
> The options -mn and -mp are used to provide the index and topology files
> used for the embedding.
>
>
> won't it be more clear just give the users an example?
>
>
>
> On 01/29/2017 11:29 AM, David van der Spoel wrote:
> > This
> > http://manual.gromacs.org/documentation/5.1.1/onlinehelp/gmx-mdrun.html
> > tells you to read the manual.
>
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