Force field

User discussions
1

Dear, Gromacs users,
I hope this message will find you well.
I am new Gromacs user. I want to simulate the interaction of 1,2,3-Benzotriazole with water. However, I couldn’t find the appropriate forcefield for BTA.

Could you suggest me where/how to find the appropriate FF for BTA?

Best regards

2

It depends on the Force Field you are interested in.
Good information you can find on mdtutorials.com
On this page an automated forcefield builders are noted:
Protein-Ligand Complex