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BioExcel Webinar #61: What's new in GROMACS 2022

descriptionPublicationkeyboard_double_arrow_right Presentation , Other literature type 08 Mar 2022Publisher:ZenodoFunded by:EC | BioExcel-2
Authors: Bauer, Paul;

doi: 10.5281/zenodo.6337826 , 10.5281/zenodo.6337825

BioExcel Webinar #61: What's new in GROMACS 2022

Abstract

This webinar gives a short overview of the new features that have been included in the recently released 2022 version of GROMACS. The talk will discuss the newly implemented QM/MM interface to CP2K, new abilities to perform pulling simulations, as well as several performance improvements and new hardware support.

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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
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download
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
downloads
OpenAIRE UsageCountsDownloads provided by UsageCounts
0
Average
Average
Average
14
22
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