[gmx-users] problem of pr.mdp file

[David van der Spoel]

sudheer wrote:
> 
> hi gmx users
>  i have one doubt regarding pr.mdp file of protein.(my protein doesnt 
> contain any missing residues)
> This protein i have taken after run it in amber. The steps i have done are
> 1) pdb2gmx conversion
> 2) Energy minimisation in vaccum
>  Now my doubt is whats the next step ? directly i will go to production 
> or after doing postion restrain i have to do production?
> pls anyone help me.
>   
use pr.

follow the steps in the tutorial.

> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se