Thank you. My oversight.
On Jun 2, 2011, at 4:21 PM, Thomas Cheatham wrote:
>
>> For easy reference I'm adding the latest script:
>>
>> trajin prod_2ns.mdcrd.gz
>> trajin prod_4ns.mdcrd.gz
>> trajin prod_6ns.mdcrd.gz
>> trajin prod_8ns.mdcrd.gz
>> trajin prod_10ns.mdcrd.gz
>> strip :WAT
>> strip :Na+
>> trajout test-out representative pdb average pdb averagelinkage \
>> clusters 5 mass rms :1-125 .CA
>
> "trajout" does not cluster; it outputs trajectories. You want "cluster"
> as per the previous e-mail and your earlier script...
>
>>> cluster out test-out representative pdb average pdb averagelinkage \
>>> clusters 5 mass rms :1-125 .CA
>
>
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Received on Thu Jun 02 2011 - 08:00:03 PDT
