[gmx-users] .mdp files

[Dr. Y. U. Sasidhar]

subramaniam sivaraman wrote:

>Hi,
>  If I am interested in running the preprocessor
>grompp, is it necessary for us to supply the
>grompp.mdp file for that( since it is input, opt) and
>I would like to know whether the grompp.mdp file can
>be used along with any protein of our interest. Is it
>the correct way to give grompp.mdp as input file and
>generate for eg. x.mdp of our interest. Advance thanks
>for the help. Also, please suggest how to generate the
>full.mdp for the proteins of our interest.
>                             s.sivaraman
>
>________________________________________________________________________
>Missed your favourite TV serial last night? Try the new, Yahoo! TV.
>       visit http://in.tv.yahoo.com
>_______________________________________________
>gmx-users mailing list
>gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>
>  
>
.mdp files are to be specified by the user for enrgy minimization, pr 
md, full md.
They reflect user's choice of how electroststics is to be handled etc.
A good starting point would be mdp files that come with tuorial in
/usr/local/share/gromacs/tutor ( this is the usual place )

-- 
 Sasidhar