Dear all,
The command 'cluster' can export the single representive frames by using 'repfmt'
When I using the 'autoimage' to image the water into box, the exported files still not imaged. How I export the autoimaged representive frames in one cpptrage script?
Here is My cpptraj scipt:
trajin md.nc
autoimage
reference md.nc average 1 1 1
strip !(:1-284<:4)
cluster CA .CA clusters 5 sieve 10 summary sum.out repout ct1-p1zd-a1 repfmt pdb
And I using amber12 and AmberTools13. Thanks for your help.
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Received on Mon Jun 22 2015 - 02:30:02 PDT
