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

[mohammad r]

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.