Add the 'evalplateau' command. Other misc. fixes. #821
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added 30 commits
November 25, 2019 10:12
…eed to be shifted as well.
… 1. With the addition of the A2 parameter, we're saying we dont know exactly where on the exponential curve the data starts.
…her and with first order decay. Bounded by A0 OP A2 (where OP is + for decay and - for inverse) and A2 at times 0 and infinity
…the t=0 case where the first value should be close to A0+A2 or A2-A0
…mbering instead of original
… it actually does.
…category, add a flag that marks the command as hidden. This allows the command to retain its underlying category and so things like 'runanalysis' work as intended with hidden commands.
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Add a new analysis command,
evalplateau. Still hidden for now because I'm still working on it, but I'm using it a lot so I'd like it available in the main build.Other fixes:
noexitonerror.pdbterfor PDB output still work properly.topresnumkeyword for PDB output to force PDB to use topology residue numbering.