Dear all... How to obtain the height of the box after MD simulation finish? This is because, during simulation, I didn't put size of my box. The reason why I didn't put the size because I want put the molecule in random displacement to avoid bottlenecks. So the command is editconf -f cat125.gro -o cat125_ed.gro -bt cubic Thank you.... NAIMAH HARON DEPARTMENT OF CHEMISTRY UNIVERSITI PUTRA MALAYSIA
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