OPLS force field with Acpype GeneratedTopology?

02 February 2019 1 7K Report

Dear all,

Can we use the .itp file generated by Acpype with OPLS forcefield, is it compatible? I know Acpype uses antechamber which is based on GAFF but the question is whether the .itp file can be used with OPLS forcefield or not. Or Amber ff99SB should be used?

I have been using the attached files generated by acpype for my simulations.

Regards,

Raghav

Raghav Saxena

Dear Stéphane Abel

OK and what about Amber ff99SB ? Is it compatible?

Best,

Raghav

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