[gmx-users] vsites and lincs-order

[Jochen Hub]

Hi,

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,

Jochen

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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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