Is there some part of the Amber documentation that shows how to extract a
single frame from a trajectory and then use that frame as the -c input for
another, new MD run?
I've tried
trajout frame1000.crd onlyframes 1000
to extract frame 1000 but the files I get are rejected when I use them in
the command:
sander -O -I input.in -o output.out -p prmtop.prmtop -c frame1000.crd
ERROR: Problem reading coordinates or velocities from frame1000.crd
I could not understand line 3 :
42.500 38.645 31.170 42.986 37.880 30.854 44.290 38.130 31.455
44.769
Any assistance would be appreciated.
Jim
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Received on Thu Nov 16 2017 - 18:30:01 PST
