[gmx-users] pb2gmx SS bond selection

pithevenet at free.fr pithevenet at free.fr
Wed Jan 18 10:58:54 CET 2012

Dear all,

I'm using the option -ss to select the SS bonds I want to preserve when so problem occur with multiple bonds possible.
The problem is that pdb2gmx asks me if I want to preserve the bound between an atom or not. It is very difficult to do this automatically.
Is there a way to tell pdb2gmx which one I would like to preserve without using thoses question? Directly in the command line?

Thank you.


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