[gmx-users] Pressure for froozen atoms

aherz alexander.herz at mytum.de
Thu Aug 27 14:46:47 CEST 2009


Hi guys,

does gromacs use the following scheme to calculate the virial/pressure
for systems including froozen atoms:
http://www.ccp5.ac.uk/infoweb/wsmith22/wsmith22/wsmith22.html
??

Thx,
Alex



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