Inconsistencies in NAMD simulations

From: Chandra Ramananjara (
Date: Tue Jan 22 2008 - 02:49:53 CST

I did an NPT simulation some time ago and I set DCDFreq to 1000. I decided this wasn't a high enough sampling rate, so I re-ran the simulation (without changing any parameters except setting DCDFreq to 500) but I'm getting different energies and pressures. Is this normal ? In NAMD, if you run the same simulation twice, is it normal to get differing energies ?


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