[gmx-users] vsites and lincs-order

Jochen Hub jochen at xray.bmc.uu.se
Wed Oct 7 13:16:52 CEST 2009


the manual suggests lincs-order = 6 when using large time steps (4-5 fs, 
with vsites). Has anyone experience how severe that issue is. Has anyone 
observed artefacts with lincs-order=4 and large time steps?

Thanks a lot,


Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755

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