> 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 .
My guess is that you've got a much better chance of someone knowing how to solve your problem with existing tools if you define "velocity profile of fluid along the channel axis", i.e. give equations. Section 7.4 of the manual gives a rough outline of the functionality that exists already. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
