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On 4/09/2011 7:37 PM, zhongjin wrote:
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<div><font size="5">Dear GMX user,</font></div>
<div><font size="5"> I am using GMX4.5.4 (double
precision) to simulate electrolyte confined in a CNT
with polarizable model. The CNT diameter is 3.0 nm and
length is 6.0 nm. The box is 5.0*5.0 *6.0, out of CNT
is nothing, that is to say, the system is
inhomogeneous，please see it by clicking this link <a
moz-do-not-send="true"
href="http://photo.163.com/hzj1000/list/#aid=228653982&m=0&page=1">http://photo.163.com/hzj1000/list/#aid=228653982&m=0&page=1</a></font></div>
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<br>
I think all your runs are broken, because as your potential energy
is always large and positive. Check out <a
href="http://www.gromacs.org/Documentation/Terminology/Blowing_Up">http://www.gromacs.org/Documentation/Terminology/Blowing_Up</a>.<br>
<br>
Mark<br>
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