The trajectory file is from a consecutive run so i would hope the frames are
evenly spaced.
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On 4/19/13 4:19 PM, Brad Van Oosten wrote:
The trajectory file is from a consecutive run so i would hope the frames are
evenly spaced.
What does gmxcheck tell you? No reason to hope when you can prove conclusively
one way or another :)
-Justin
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Checking file md50.xtc
Reading frame 0 time0.000
# Atoms 27392
Precision 0.001 (nm)
Last frame 5 time 10.000
Item#frames Timestep (ps)
Step 500012
Time 500012
Lambda 0
Coords 500012
Velocities 0
Forces
On 4/19/13 4:28 PM, Brad Van Oosten wrote:
Checking file md50.xtc
Reading frame 0 time0.000
# Atoms 27392
Precision 0.001 (nm)
Last frame 5 time 10.000
Item#frames Timestep (ps)
Step 500012
Time 500012
Lambda 0
Coords
Ahh, yes perhaps i was unclear. The output file also has the same number of
steps.
Checking file md50_centered.xtc
Reading frame 0 time0.000
# Atoms 27392
Precision 0.001 (nm)
Last frame 5 time 10.000
Item#frames Timestep (ps)
Step 500012
Time
On 4/19/13 4:37 PM, Brad Van Oosten wrote:
Ahh, yes perhaps i was unclear. The output file also has the same number of
steps.
Checking file md50_centered.xtc
Reading frame 0 time0.000
# Atoms 27392
Precision 0.001 (nm)
Last frame 5 time 10.000
Item#frames
ahh, i thought that the program was skipping as in not doing the centering
command on certain frames due to one reason or another. Ill look into your
suggestion
Thank you very much for the help.
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