[gmx-users] Box size
Qi Sun
qsun at ucdavis.edu
Wed Nov 3 19:37:11 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 will take very long simulation time. Is there any
other efficient way to fulfill that in Gromacs?
Best regards,
Qi Sun
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