[gmx-users] problem of pr.mdp file

David van der Spoel spoel at xray.bmc.uu.se
Tue Jan 1 13:46:43 CET 2008

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

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