On 10/31/18 12:06 PM, rose rahmani wrote:
Hi, I want to calculate distances between fixed tube in the middle of the box and amino acids(all are same type)around it. But gmx distance gives me the relative distance i mean AA can be front or back( can be 0.5 or -0.5 from tube) of tube but still |-0.5|=0.5 nm far from it. How can i have the absolute value of distances? Would you please help me?
Write a simple post-processing script that multiplies any negative value by -1.
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