[gmx-users] taking snapshots of the protein after simulation
hshallal at PACIFIC.EDU
Sat Jun 5 05:13:45 CEST 2010
Dear Gromacs users,
I have had one of my studied proteins simulated in a 5 ns production.
Now, I wonder how can I get, let's say, 100 coordinates files, each file represent the coordinates of the protein at certain time during the simulation, for example, each 50 ps OR.. What if I want these 100 files to represent the most stable and least energetic conformations of the protein during this 5 ns simulation independent of which time they represent... I know that VMD can be used for that but I am not quite sure how I can do it...
Any hint or link or tutorial would be fully appreciated...
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