Interfacing the GROMOS (bio)molecular simulation software to quantum-chemical program packages

Metadata only

Author

Date

2012-10

Type

Journal Article

ETH Bibliography

yes

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Publication status

published

External links

Journal / series

Journal of Computational Chemistry

Volume

33(26)

Pages / Article No.

2108 - 2117

Publisher

Wiley

Subject

QM/MM simulation; GROMOS; MNDO; TURBOMOLE; Molecular dynamics; Water

Organisational unit

03304 - Van Gunsteren, Wilfred F. (emeritus)
00060 - Abt. ETH-Bibliothek / ETH-Bibliothek

Notes

Manuscript received 24 March 2012, Manuscript revised 21 May 2012, Manuscript accepted 22 May 2012, Article first published online 27 June 2012.

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