[gmx-users] Specifying the number of waters

Lillian Chong ltchong at pitt.edu
Tue Dec 4 23:12:17 CET 2007

Dear Gromacs users,

I would like to set up two peptide simulations (with different peptide
conformations) that have the same number of water molecules in truncated
octahedral boxes with periodic boundary conditions.  Can anyone suggest a
good way to specify that the same number of waters be added for each of
these two simulations?

Thanks in advance,
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