[gmx-users] graphite

Xavier Periole periole at inka.mssm.edu
Wed Jul 30 18:48:00 CEST 2003

Probably some bad contact in your starting point ! 
Check it, minimize. Equil of the water first, with posres 
on the graphite. Is the water abble to place correctly 
with graphite ? no space for water to get inside the graphite ?

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