[gmx-users] Insert Gold nanoparticles in a simulation box

Sheikh Imamul Hossain s.imamul.ku at gmail.com
Fri Jun 16 14:22:00 CEST 2017


Hi all,

I am simulating CG lipid monolayer in a pbc box of dimension 22*22*50 nm3.
Now I want to introduce 5/6 CG gold nanoparticles 3/4 nm above the
monolayer in my system. For this purpose I have edited the box dimension to
22*22*4 nm3 and translated 3/4 nm above the monolayer to insert the CG gold
nanoparticles in that box. But when I use the command *gmx insert-molecules
-f monolayer.gro -ci gold.gro -o gold_monolayer.gro -nmol 5* then it does
not add any CG gold molecules in the box. Surprisingly the same command
works to add 5 CG gold molecules randomly in the free space when the box
size is considered 22*22*50 nm3.

How can I solve this problem?

Thanks in advance.

Sincerely Your’s
*Sheikh Imamul Hossain*
PhD Research Student

Queensland University of Technology


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