water box and system charge

From: snoze pa (snoze.pa_at_gmail.com)
Date: Fri Sep 30 2005 - 11:44:21 CDT

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Hi,
I fix my cluster problem and it is working now. I have another question
related with water box size.
what is maximum size of water box for namd simulation..Is 10A okie for
simulation?

ANother question is related with charge. My system charge before adding ions
was 4.16000546655e
when I use a desired ion concentration of 0.05 mol/L then after adding 5 SOD
and 9 CLA residues,
system net charge is comming 0.16e (or once can test it with 4 CL ions.. the
net charge wud be .16000e)
Is it okie to run a simulation using this charge or there are other ways to
fix this fractional charge(.1600054).
thanks in advance
snoze

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