[gmx-users] How to add water molecules one by one into the polymer system

veerapandian 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.

Best regards,

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