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water biasing not auto identified from secondary structure #615

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csbrasnett opened this issue Oct 9, 2024 · 0 comments
Open

water biasing not auto identified from secondary structure #615

csbrasnett opened this issue Oct 9, 2024 · 0 comments
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easy One banana problem

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@csbrasnett
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if you just give -water-bias without -water-bias-eps then there aren't any additional interactions written to the nonbond_params.itp. I think this is probably by design (atm) but it might be useful to raise a warning in future

@pckroon pckroon added the easy One banana problem label Oct 9, 2024
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