Dear all, I saw some papers about run molecular dynamic with adding solvent(ex. TIP3P, TIP4P), but I have a question. Why they delete all water molecules in origin PDB file before adding solvent? Are there any difference between them? In another word, does the energy for adding solvent with deleting all water molecules differ from adding solvent without deleting any water molecules?
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Received on Tue May 04 2004 - 05:53:01 PDT
