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. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
