I am trying to run a 1 ns simulation using VMD/NAMD on top of my 200 ps simulation, so I set the program to run 800000 with a timestep of 1. However, the next day (it took about 12 hours) it was complete, but I only had ~16500 frames. Anyone know why the program only collected so many frames? I have a similar issue with running different simulations: the amount I ask it to run and the number of frames I get are not the same.
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Could you give the NAMD's input file content? – XuMuK Nov 08 '16 at 10:53
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1) usually, one does not save each step of a MD, which means that the number of steps computed is different of the number of frames saved in your trajectory files 2) as XuMuK said, how are we supposed to help you without your input file and/or your log file? – Eiffel Apr 30 '17 at 07:35