Respected Gromacs Users,
I am trying to compute MSD for a aggregation study. I am able to run only 10ns at a time. But I need to run a full trajectory of 1000ns. I am using this command
gmx msd -f traj.xtc -s topol.tpr -o msd.xvg
When I try to do long trajectory run (more than 10ns), I am getting this error
Reading frame 10000 time 990000.000
Program: gmx msd, version 2023
Standard library logic error (bug):
(exception type: St12length_error)
vector::_M_default_append
If anyone can suggest some way to compute long trajectory, I will be highly greatfull.
Thanking You,
Bilash Maity