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Fix excluding v-sites from OpenMM positions #390

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merged 1 commit into from Oct 14, 2021
Merged

Fix excluding v-sites from OpenMM positions #390

merged 1 commit into from Oct 14, 2021

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SimonBoothroyd
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Description

This PR fixes saving out positions from OpenMM as the OpenMM topology does not contain positions while the positions array potentially might.

Status

  • Ready to go

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codecov bot commented Oct 14, 2021

Codecov Report

Merging #390 (cf90807) into master (0079366) will increase coverage by 0.02%.
The diff coverage is 100.00%.

jthorton
jthorton approved these changes Oct 14, 2021
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LGTM! nice catch

@SimonBoothroyd SimonBoothroyd merged commit 90243fa into master Oct 14, 2021
@SimonBoothroyd SimonBoothroyd deleted the fix-vsite-exclude branch October 14, 2021 17:19
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@jthorton jthorton jthorton approved these changes

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@SimonBoothroyd @jthorton