subject:"\[gmx\-users\] trajectory error"

Re: [gmx-users] trajectory error

2019-12-30 Thread Justin Lemkul

On 12/27/19 11:26 AM, sp...@iacs.res.in wrote: Dear all I have performed a 400 ns mdrun in GROMACS-2016.3. Due to some problem the job was crushed then I rerun the simulation using state.cpt file (this happened few more times). The job is finished now but when I am trying to process the

[gmx-users] trajectory error

2019-12-27 Thread spss4

Dear all I have performed a 400 ns mdrun in GROMACS-2016.3. Due to some problem the job was crushed then I rerun the simulation using state.cpt file (this happened few more times). The job is finished now but when I am trying to process the traj.trr file it shows an error after 20 ns

[gmx-users] trajectory error

2019-12-26 Thread spss4

Dear all I have performed a 400 ns mdrun in GROMACS-2016.3. Due to some problem the job was stopped then I rerun the simulation using state.cpt file (this happened few more times). The job is finished now but when I am trying to process the traj.trr file it shows an error after 20 ns and