[gmx-users] How to add water molecules one by one into the polymer system
veera.pandi33 at gmail.com
Thu May 23 12:10:20 CEST 2019
Dear Gromacs users,
I have a polymer system and I would like to add water molecules one by one
upto 500 water molecules.
For instance, after adding a water molecule, I would like to
relax/equilibrate the system for 10 ps
and again add the molecule and perform the simulation until reaching my
desired 500 molecules.
Could you please help me how to approach this?
I guess gmx insert-molecules command add the molecules at a single step
(500 molecules in my case - Please correct me if I am wrong) but I would
like to add periodically.
Thanks in advance for your suggestions.
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