[gmx-users] Reg: Adding multiple molecules

vinothkumar mohanakrishnan kmvinoth at gmail.com
Mon Sep 27 07:53:12 CEST 2010

Hi all

I have a diffculty in adding multiple molecules of hexane to my box. my box
size is 4.72*2.36*2.36 (nm) according to my number density calculations the
box should fit 124 molecules of hexane whereas it adds only 76 molecules to
the box below is my command. i had evev tried with -try command but without

genbox -cp hexane-box.gro -ci hexane.gro -p hexane.top -o hexane-multi.gro
-nmol 124 -seed 1268

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