[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



--
View this message in context: http://gromacs.5086.x6.nabble.com/How-to-check-if-one-protein-broke-into-fragments-during-MD-tp5009221.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.



More information about the gromacs.org_gmx-users mailing list