Hi,
I want to simulate a beta peptide flanked by chemical moieties. I have seen some articles on beta peptide simulations. Most of them have used GROMOS53A6 or 54A7 ff. So, how to generate topology information for beta peptides? Thank you
Istvan Mandity
Dear Venkat,
We used the MMFF94x force field for the computation of beta-peptides.
Best regards
István
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Venkat Reddy Chirasani
Dear Istvan,
Thank you for the quick reply. How can I get this forcefield? Can I import this forcefield to GROMACS?
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Istvan Mandity
Dear Venkat,
This question I can not answer. We used the MOE software package for the simulation.
Best regards
István
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