Hello,
I recently had RMSD values of my protein and use the data from cpptraj to
do KDE analysis )also in cpptraj). However, I am getting values greater
than one at specific bandwidth. Is there any way I can avoid getting
probability values > 1 at fixed bandwidth.
This is how my cpptraj input file look like:
readdata sotyr_apo_EL1_rmsd.dat name EL1
readdata sotyr_apo_EL3_rmsd.dat name EL3
readdata sotyr_apo_IL3_rmsd.dat name IL3
readdata sotyr_apo_IL4_rmsd.dat name IL4
kde EL1 out SoTyrR_EL1_kde.out min 0 max 10 step 0.01 bandwidth 1
kde EL3 out SoTyrR_EL3_kde.out min 0 max 10 step 0.01 bandwidth 1
kde IL3 out SoTyrR_IL3_kde.out min 0 max 10 step 0.01 bandwidth 1
kde IL4 out SoTyrR_IL4_kde.out min 0 max 10 step 0.01 bandwidth 1
run
quit
Thank you very much!
Best regards,
Mac Kevin E. Braza
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Received on Fri Aug 31 2018 - 20:30:02 PDT
