[AMBER] how to export pdb in 'cluster' with 'autoimage'

From: windy <chxp_moon.163.com>
Date: Mon, 22 Jun 2015 17:11:32 +0800 (CST)

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
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
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