[gmx-users] Using newly defined residue to neutralize the system

Sajeewa Pemasinghe sajeewasp at gmail.com
Wed Jan 18 09:04:43 CET 2017

Hi all,

I have an itp file to a new residue MGH. It is an ion with a (+2) charge. I
have included the itp file in the topology file using #include MGH.itp. My
question is, will I be able to use this MGH ion to neutralize my system
using "gmx genion" without any further modifications to the forcefield
files? If there are further modifications needed could you please tell me
what they are?

Thank you very much

Sajeewa Dewage

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