[gmx-users] problem with continuation of md
sarbani_c84 at rediffmail.com
Wed Sep 10 13:53:55 CEST 2008
I had used the "tpbconv" command to give continuation run on a 2ns simulation. I had
provided the previois trajectory file, energy file for this. However the continuation run had
crashed due to power failure and I again had to give a rerun on it.
Everything seems to be working well but surprisingly I find that the coordinates of the atoms
at 2ns , as found at the end of the 2ns simulation and the coordinates of the atoms at 2ns at
the start of the continuation run are different. This means that the run didn't start from the
point at which ended.
Can anyone suggest any reason for this?
Thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users