[gmx-users] Box size

Qi Sun qsun at ucdavis.edu
Wed Nov 3 19:22:12 CET 2004

Dear all Gromacs users:
   Now my system is well equilibrated by evaluating density and energy 
parameters, however the box size (2.87931, 4.02635, 5.40494) is not what we 
want, we would like to have a cubic shape instead. I thought about setting 
the box size to 5.40494 in three dimensions, which means starting the whole 
equilibrium again and may take very long simulation time. Is there any 
other efficient way to fulfill that in Gromacs?
   Best regards,

Qi Sun

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