[gmx-users] Number of solvent molecules

P.R.Anand Narayanan nandu_cooldevil at yahoo.co.in
Fri Oct 30 06:17:13 CET 2009


Dear users,

How is it possible to fix the number of solvent molecules and the size of the box used so that I can maintain exactly the same environment for different runs.
For eg, if I have 84000 water solvent molecules and the dimensions of 6.7 6.73 4.71 nm; how can I use the same system for a different run?? Can I get the syntax???? 

regards,
Anand



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