[gmx-users] Re: Turn on pdb output after every step

santhosh mesanthu at gmail.com
Mon Jan 14 21:23:58 CET 2013


@Justin : Thanks for your time but I think I was a little unclear. 

I want to output pdb during the run. Before every integration step, I want
to output the current configuration of the system. 

(This would make the system slow but right now thats not my concern). 



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