Dear Amber,
I performed a cluster analysis using the input below.
However, I got a strange result in which the file
"cluster-cpopvtime-x1d1.agr"
show one straight line only.
Hope you can help me.
Thank you in advance.
Best,
nadaafiva
Here is my input file
# Cluster analysis with cpptraj.
parm x1d1.prmtop
trajin nowat.prod.nc
cluster C0 \
dbscan minpoints 25 epsilon 0.9 sievetoframe \
rms :1-1079.CA \
sieve 10 \
out cluster-x1d1.dat \
summary cluster-summary-x1d1.dat \
info cluster-info-x1d1.dat \
cpopvtime cluster-cpopvtime-x1d1.agr normframe \
repout rep-cluster-x1d1 repfmt pdb \
singlerepout cluster-x1d1.nc singlerepfmt netcdf \
avgout cluster-avg-x1d1 avgfmt restart
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Received on Sat Jun 20 2020 - 02:00:02 PDT
