Re: [AMBER] Cluster results

From: Thomas Cheatham <>
Date: Wed, 6 Aug 2014 12:28:34 -0600 (Mountain Daylight Time)

> This is the cluster command I used:
> trajin ../PknGAde_md_rest20ns_reimage.mdcrd
> cluster out PknGAde_restr20ns representative pdb average pdb all amber averagelinkage clusters 5 rms sieve 10 :247 <:5.0

In the older cluster command in ptraj, if the files got large, .1, .2, ...
(where large was fairly arbitrary) get appended to the .cX files. I do
not remember why my postdoc did this as it confused me too, but that is
the behavior... --tec3

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Received on Wed Aug 06 2014 - 12:00:02 PDT
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