On 2/1/18 12:45 PM, Ahmed Mashaly wrote:
I want to run a long MD 200 ns, but I want the outputs of every 5 ns to be 
saved separately ... Is there a way or a script to do this? Kind Regards,Ahmed

It should be very simple with a bash loop and making use of mdrun -noappend so you avoid naming clashes. People have done this before and posted to the list; just Google within the archive.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129


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