Hybrid FEP topology for Nucleotides

From: shreya bhattacharya (shreya199713_at_gmail.com)
Date: Tue Dec 13 2022 - 06:34:38 CST

Hello everyone,
How to obtain hybrid dual topology for mutating DNA for performing free
energy perturbation (FEP). The mutator plugin does a pretty good job in
generating FEP inputs for protein mutation. However, it do not support
mutations of DNA or RNA molecules? Is there any way to obtain the hybrid
topologies for DNA/RNA mutations? Please help me with this.

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