[gmx-users] problem of pr.mdp file
Mark.Abraham at anu.edu.au
Tue Jan 1 14:24:18 CET 2008
> 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?
It depends what you want to do the simulation for. See
general advice, and consult the literature for how other people have
done things similar to what you are doing.
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