[gmx-users] How to check if one protein broke into fragments during MD?

maggin maggin.chen at gmail.com
Mon Jun 17 17:00:12 CEST 2013

Hi, all

1dx0.pdb during MD step at 19532ps are broken into 8 fragments, as VMD show
about  bovin19532.gro


as picture shows that  at the bottom the number of protein is 8

while when I use VMD to see md_0_1.gro the last structure of MD finished 


at the bottom the number of protein is 1

So, it seems from last structure it can not tell if is this protein broken.

Is there anyway to check if protein  is broken during MD?

Thank you very much!


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