[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
<http://gromacs.5086.x6.nabble.com/file/n5009221/aa.jpg>
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
<http://gromacs.5086.x6.nabble.com/file/n5009221/bb.jpg>
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!
maggin
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