[gmx-users] how to deal with large pressure fluctuation
sansanqin00 at mails.tsinghua.edu.cn
Wed Aug 29 10:28:03 CEST 2007
I made a lipid bilayer fully hydrated by water,without water in the
lipid hydrophobic tails.Then I minimized the energy to Fmax=132.5,then I
ran NVT md for 200ps.However when
I wanted to run NPT simulation, the pressure fluctuation was as high as
1.33*10E+05,it crashed very easily.
Does anyone know how to deal with large pressure fluctuation?I tried to
enlarge tp,however,it was of no use.
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