8000 Have the chamber action change water names to WAT and O by swails · Pull Request #760 · ParmEd/ParmEd · GitHub
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Have the chamber action change water names to WAT and O #760

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Merged
merged 3 commits into from
Sep 21, 2016
Merged

Have the chamber action change water names to WAT and O #760

merged 3 commits into from
Sep 21, 2016

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swails
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@swails swails commented Sep 21, 2016

This is necessary to get SETTLE to work on Amber with the default values of
WATNAM and OWTNM. (these can always be changed to TIP3 and OH2 to get SETTLE to
work regardless).

Addresses suggestion by @dacase

@swails
Have the chamber action change water names to WAT and O
775a756 
This is necessary to get SETTLE to work on Amber with the default values of
WATNAM and OWTNM. (these can always be changed to TIP3 and OH2 to get SETTLE to
work regardless).

This makes ParmEd's chamber match the "old" chamber.
@swails
Add a test for the previous commit.
e45abf2
@swails
Fix typo.
35ff6cf
@swails swails mentioned this pull request Sep 21, 2016
Closed
@swails swails merged commit 453b0b6 into ParmEd:master Sep 21, 2016
@swails swails deleted the chamber-water branch September 21, 2016 02:49
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