[gmx-users] the final structure

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 19 14:06:04 CET 2011

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! :-)


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