again water benchmark


  I'm going on playing with the water benchmark for which I asked some
clarifications before...

I prepared a 64 water molecule data file system using program "moltemplate"( ), and used it in the benchmark script given that I modified a bit
( I attach here the files. As a result emperature equilibrates at
the right value, more or less, but pressure fluctuates wildy.

Did I make some mistake or this is simply the way it is ( system too small,
low compressibility? ) ? I don't think I'm able to attach e pressure to this
system... (9.58 KB) (740 Bytes)

The topic of pressure fluctuations has been discussed frequently on this list. Your system is *very* small, so all comments on small systems apply.