Dear AMBER community,
Are there settings for 1-4 interactions (or the like) that need to be set to specific values to run simulations using the CHARMM 36m force field with PMEMD?
I'm going to also use ff14sb, but some have claimed in the literature that CHARMM36m is better for amyloidogenic proteins., so I want to run two sets of simulations.)
I’ve already used chamber to convert the topology.
Any other suggestions for modeling fibrils of a disordered protein are also welcome!
Best,
Matthew
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Received on Thu Nov 03 2022 - 15:00:03 PDT
