[gmx-users] restarting a sim after an XTC crash

[Kia Balali-Mood]

Dear all,

I have a query regarding restarting a sim. If an XTC crash occurs (due to a full
disk), is it feasible to restart a simulation by exporting the last frame (via
ngmx) as a PDB file and restarting after clearing/backing up the old
trajectories?
I should point out that I have previously followed the  protocol on the
website/manual for restarting a sim after an XTC crash.

I presume the velocities are not present when re starting by my proposed
method!?

Your input is much appreciated!!!!

Thanks

Kia
******************************************************************************
Kia Balali-Mood
Laboratory of Membrane Biophysics
Division of Veterinary Biomedical Sciences
College of Medicine & Veterinary Medicine
The Vet School
University of Edinburgh
Summerhall
Edinburgh, EH9 1QH
Tel. +44 (0)131 650 6142
Fax. +44 (0)131 650 6576
leaflet.vet.ed.ac.uk