From: Liguo Wang (liguo.wang_at_yale.edu)
Date: Thu Mar 15 2007 - 14:01:12 CDT
Dear NAMD users,
I tried to study peptide in a water box and found out that the water
just 0.85g/cm3. So I set up a pure water box (40A*40A*40A), minimized
and run the NPT simulation for 10ns. The averaged water density was 0.9g/cm3.
Then I calculate the water density from the wat.pdb which is used by solvate
package to put water molecules around proteins. Surprise! The density is still
0.9g/cm3, instead of 1.0g/cm3. Did anyone see similar problem? Or did anyone
get the correct water density using NAMD?
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