Dear users,
I use xleap on amber10 package and I am quite surprise by some results.
If I solvate (solvatebox test TIP3PBOX 10) my molecular system previously
neutralized with Na+ counterions (addions test Na+ 0) the number of water
residues added is 5824.
If I solvate the same molecular system previously neutralized with K+, the
number of water residues increase to 7846.
With xleap on amber9 package, these values are different respectively 4674
and 5183.
Why all these differences, where is the mistake ?
Thanks a lot
Philippe
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CNRS / Laboratoire de Chimie de Coordination
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Received on Sun Feb 01 2009 - 01:07:20 PST
