[gmx-users] How to explain the phenomenon of -genbox?

maggin maggin.chen at gmail.com
Sat Apr 19 01:54:31 CEST 2014


at the step: editconf -f box.6.gro -o box.6_newbox.gro -c -d 1 -bt cubic 

box.6_newbox.gro is right, no problem;

following, I use:  genbox -cp box.6_newbox.gro -cs spc216.gro -o
box.6_solv.pdb -p box.6.top

so, this strange happen.

While at NVT step, it looks ok. the nvt.gto is:

<http://gromacs.5086.x6.nabble.com/file/n5015933/4DAQ6D3C1A3JKACU1PZQ%40W7.jpg> 



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