[gmx-users] simulation box

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Wed Apr 24 13:21:04 CEST 2002


Dear All,

Does anyone know how to create the simulation box which contains peptide
and water at the given box size and the number of water molecules? What I
have done is that I specify the density (corresponding to the voluum and 
the number of water molecules) in the program editconf but when I use the
program genbox, he gives me default value of the density. Thanks for your
help in advance.

Phuong





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