[gmx-developers] Add IO in GROMCAS 4.6.3

Mark Abraham mark.j.abraham at gmail.com
Mon Nov 18 12:43:08 CET 2013

On Fri, Nov 15, 2013 at 9:56 AM, Jheng Wei Li <lijhengwei at gmail.com> wrote:

> Hello dear all
> I am doing some modification in minimize.c!
> I want to add new files to output or readin something.
> Which files should I also do the modification?

Depends where on the spectrum you are between wanting to do mdrun -zi
yourinput.xyz -zo youroutput.abc, or hardcoding your filenames right in

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