Did you try to see if it works ?
It should, but you should be using netcdf format fro all your jobs (.nc)
always. They occupy much less space, and the data input/output is MUCH
faster.
adrian
On 6/8/17 12:52 PM, Thakur, Abhishek wrote:
> Hi
>
> While seeing the script for PCA analysis I have found that it is asking for trajectory file in Y.nc format
>
> trajin cpu/cpu.nc parm [cpu]
>
> Can I use Y.crd.gz file? Which I have obtained by combining all 300ns of trajectory file after auto imaging it?
>
>
>
> Thanking you,
>
> -AT
>
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--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Thu Jun 08 2017 - 10:00:03 PDT
