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Table 1 MD simulation parameter used in this study

From: Molecular dynamics simulations on aqueous two-phase systems - Single PEG-molecules in solution

Parameter

Value

Force-Field

Amber03 [25, 35, 36]

Wall boundaries

periodic

Simulation time

10-30 ns

Snapshot interval

5 ps

Density [g/l]

1.0

pH

7.0

Temperature control

rescale velocities [37, 38]

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BMC Biophysics

ISSN: 2046-1682

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