[gmx-users] Defined number of molecule of water into box

battistia at libero.it battistia at libero.it
Mon Apr 4 08:04:33 CEST 2011


Dear all,
is it possible to put into a box a defined number of particle?in other word, i'd like put into my system eg. 100 molecule of water, I tried with:
genbox -cp protein.gro -cs  -nmol 100 -try 1 -o out.gro
but it does not work.Can you help me?
Thanks!
Anna


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