Dear Sir,
I am calculating diffusion for water in a membrane system using ptraj.
Since my simulation time is quite long (300ns), my diffusion value is big.
I supposed to get something like below:
249985.00 13132.505
but I get both values combined as:
249985.0013132.505.
This gives no room for the two columns and xmgrace does not show graph when I try to plot.
I also tried to use awk to separate those columns but it treat as only single column upon both columns combine together.
Is there any tweaks need to do in ptraj for make the columns wider when writing their output?
I need help.
Thanks in advance.
Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Sat Oct 19 2013 - 04:30:02 PDT
