[gmx-users] adding hydrogens to protein with pdb2gmx

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Tue Sep 4 17:59:38 CEST 2012

Yes okey. I understood.

But I have another question:

Since I only want to minimize the phosphates which I added to the protein
I want to use the freeze option to make sure that the other residues will
not change.
But how can I say gromacs that it shell make an exception and do not
freeze the phosphate of the residues where I added the phosphate?

Thank you,

> Only the -ignh flag is wrong, as Justin said.
> Keep the rest of the command line.
> --
> Marcelo Depólo
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