**From:** Alexandre A. Vakhrouchev (*makaveli.lcf_at_gmail.com*)

**Date:** Thu Jul 19 2007 - 00:59:36 CDT

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Hi all!

I calculate water-tube molecular system. Periodic BC and TclBC forces

are used to apply pressure gradient at input of carbone pipe for layer

of 10A along Z-axis. Tube is fixed.

When I restart NAMD job using bincordinates and binvelocities new

calculation is not exact restart of previous results. There is energy

"gap", as an example I attached plot of average velocity of water

molecules along Z-axis.

What is the reason of such phenomena? I use the same force constant.

More over I obsereved the same case without any forces and BC applied.

Thank you in advance!

Dr. Alexandre Vakhrouchev

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