Dear Amber Team,
What is the correct way to calculate the RMSF of a production run.
Currently, I am using the given script, the production run starts from
50ns.
trajin test.0050000_0050050.crd
.......
trajin test.0249950_0250000.crd
strip :Na+, WAT, LIG
center :5-305
rms first mass :5-305
atomicfluct out test_aq.rmsf_ca.dat .CA byres
run
OR
trajin test.0050000_0050050.crd
.......
trajin test.0249950_0250000.crd
autoimage
strip :Na+, WAT, LIG
atomicfluct out test_aq.rmsf_ca.dat .CA byres
run
Which is the correct way to calculate RMSF with the first frame as
reference and average frame as reference?
Advance thanks for the suggestions.
--
----
Dheeraj Chitara
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Received on Fri May 15 2020 - 00:00:02 PDT
