[gmx-users] XYZ Cordinates of a subsset of atoms

rankinb rankinb at purdue.edu
Sat Jun 15 20:05:42 CEST 2013


Is there a way to create a .gro file with the XYZ coordinates of atoms that
are within a specified distance of another atom at each time frame?  It
seems that trjconv should be able to do this but I am having a difficult
time figuring it out. 

Thank you,
Blake



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