[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 ?
XAvier
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