[gmx-users] problem about rmsd
sudheer.pbm07 at gmail.com
Fri Mar 21 17:07:04 CET 2008
I gave 1ns run production step without velocities in md.mdp file, in between
my simulation crashed, so I used *tpbconv for continue that crashed run ,
After finishing that I used *trjcat for catenation of my 2 simulation
trajectory files, its shown only 900ps trajectory files into trjout.xtc not
1000ps without error. By using this I plotted rmsd its shown that only
900ps values graph.
what could be the reason for not getting 1000ps trajectory values, pls give
Thanks in advance.
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