[gmx-users] modeling CNT, center of mass velocity, energy minimization

mohammad r mohammad.r0325 at yahoo.com
Mon Feb 22 07:04:07 CET 2016

Hi GROMACS users,

I have some questions:

        1-  Can I model a carbonnanotube (CNT) conveying fluid in GROMACS subjected to a magnetic field?

        2-  How can I check the centerof mass velocity of my system?

        3-  I want to calculate volumeand water self diffusion coefficient for 1ns, can the energy minimizationprocess do it? Or the equilibrium processes can do it? I want to draw theparameters versus time.

Thank you, Mohammad.

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