One more comment:
Usually the energies at restart will be pretty much identical, within
the precision with which you saved your coordinates and velocities.
The non-bonded pair update problem will show up at longer time scales.
Running a 500 ps simulation in one go, or from 10 ps pieces with
restart after each piece will give you different results.
Cheers,
Alexandre
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| Dr. Alexandre Bonvin | Phone: Int+41-1-632-5504 |
| Physical Chemistry, ETHZ | Fax: Int+41-1-632-1039 |
| Universitatstrasse 6 | Email: abonvin at igc.phys.chem.ethz.ch |
| 8092 Zurich, Switzerland | http://igc.chem.ethz.ch/abonvin |
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