Membrame Volume Increasing after restart

From: Vamshi Gangupomu (
Date: Thu Apr 19 2007 - 13:24:24 CDT

Hello Everyone,

I am equilibrating my membrane and it crashed at approx 0.7 ns. The error is
similar to what we heard on this list earlier: atoms moving too fast. I had
this problem earlier and it normally vanishes after restarts. Volume and
energies of the system equilibrated around 0.2 ns and the simulation
continued till ~0.7 ns before it crashed. I used the coordinate, velocity
and extended system files for the restart. The temperature is the same and
everything else in the simulation is the same as earlier. However, after the
restart the volume started to increase, went up a few notches and
equilibrated again. Also the energies changed a bit. Am I doing something
wrong with the restart? Any inputs are valuable. Thanks for your time.


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