[gmx-users] Calculating velocity profile for nanochannel fluid flow

[avinash kumar]

Respected all,
I am currently involved in a project which aims to simulate pressure driven
nanochannel fluid flow through a wall made of hydrophobic and hydrophilic
patches using GROMACS . I have been able to successfully run the simulation
and have been able to obtain most of the plots necessary to validate my
simulation . However I have been not able to obtain the velocity profile of
fluid along the channel axis . I cannot figure out which command to use to
obtain the profile. I would be very grateful if you help me out on this
matter . My doubt is that whether you require some programming outside
standard GROMACS capabilities or you only use the postprocessing commands of
GROMACS .


Avinash Kumar
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