Nanochemistry Laboratory

Self-Assembly Movies

(the movies are better visualized when using Windows Media Player and changing the speed settings: right-click->play speed->slow)

a) Video S1



Time evolution of the mel•ura bi-component at the constant temperature of 420K. The movie corresponds to the simulation trajectory (first 200ns) reported in Figure 2a of the Main Text. Molecular snapshots were dumped every 0.075 ns. A script with the name mel-ura.inp is provided in a rar file in the supporting online material, such that the full trajectory can be reproduced by simulation in CHARMM.

Download Video S1 link

Download rar file containing all scripts link



b) Video S2



Time evolution of the mel•ura* model system at the constant temperature of 420K. The movie corresponds to the simulation trajectory (200ns) reported in Figure 2b of the Main Text. Molecular snapshots were dumped every 0.075 ns. A script with the name mel-ura-blocks.inp is provided in a rar file in the supporting online material, such that the full trajectory can be reproduced by simulation in CHARMM.

Download Video S2 link

Download rar file containing all scripts link



c) Video S3



Time evolution of the anthra•bigua bi-component at the constant temperature of 520K. The movie corresponds to the simulation trajectory (288ns) reported in Figure 3g of the Main Text. Molecular snapshots were dumped every 0.080 ns. A script with the same name is provided, such that the full trajectory can be reproduced by simulation in CHARMM. A script with the name mel-ura-blocks.inp is provided in a rar file in the supporting online material, such that the full trajectory can be reproduced by simulation in CHARMM.

Download Video S3 link

Download rar file containing all scripts link