On 19/01/2011 11:32 PM, ahmet yıldırım wrote:
Dear users,
Which the file should I use to visualize (using pymol) the final
structure after the simulation finish?
mdrun -c sets the name of that file, which defaults to confout.gro. That
can be understood from the contents of mdrun -h, but the density of
information does make life hard when starting out! :-)
Mark
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