[gmx-users] can not restart a simulation from the checkpoint file
Chen, Zhihong (chenz2)
chenz2 at mail.uc.edu
Fri Dec 2 17:51:07 CET 2011
Hi,
I runed 2 ns membrane simulations. But I cann't restart these simulations using the checkpoint file, The error message is Warning: task died with signal 11 (Segmentation fault).
Since the trr file include the force, velocity information of atoms, so I restarted the simulations from trr file and it works. But when I tried to visionize the trr file in VMD, I saw weird long lines between atoms across the cell box. I think that is because atoms are swithing from one periodic box to another. So the bond information are messed up when shown in VMD. What I am concerned is , is there a problem to restart simulations from trrr file? And how to restart from cpt file, solving that Segmentation Fault? Could someone give me help on this? Thanks
chen
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