I am running a tricinlic NPT simulation.
It has ran for more than 100 ns. Due to cluster walltime, job was restarted several times without any error.
But now, I am not unable to restart and resulting with the following error.
Triclinic box skew is too large.
Can someone help with this.
Thanks in advance
But chances are your box is getting messed up due to other problem with the input.
Thanks for the reply…
Is there any solution to restart the simulation.
Not sure I follow. Are you getting this message during a restart run right at the beginning of it despite using the box tilt large settings in your input?
Sorry to update. I tried with box tilt large… Was working…
Try using the same command:
box tilt large
before you read the restart file.