Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

Dataset

Datasets

Run Input file for MD simulation after 100ps at 200K (9f-3.tpr)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Run Input file for MD simulation after 1ns at 300K(15f-3.tpr)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Run Input file for MD simulation after 100ps at 50K(8f-3.tpr)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Trajectory file of MD simulation after 100ps at 50K (8f-3_new.xtc)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Trajectory file of energy minimization of capsid(7f-3.trr)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Structure file of capsid after energy minimization (7f-3.gro )

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Run Input file for energy minimization of capsid(7f-3.tpr)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Structure file of MD simulation after 100ps at 50K (8f-3.gro)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Structure file of MD simulation after 1ns at 300K (15f-3.gro)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Trajectory file of MD simulation after 1ns at 300K (traj-comp1.xtc )

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Structure file of MD simulation after 100ps at 200K (9f-3.gro)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset

Trajectory files of MD simulation after 100ps at 200K(9f-3_new.xtc)

Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

Dataset