Sticking TIP4P water molecules AMBER

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Dec 19 2011 - 04:33:25 CST

Hi experts,

I'm getting some strange behavior when simulating tip4p water using a
thermostat. If I simulate without langevin, the water diffuses really fast,
what is expectable. When using langevin, the water seem to compress a little
and then sticks together as a whole bunch. There are long chains of the
dummy atoms to hydrogens.

It looks like the dummy atoms have very strong charges, or is this a usual
behavior?
Any ideas?

Thanks in advance

Norman Geist.

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