Hi, It is possible to compute the number density using g_density, with the switch "-dens number". Do you know if this is the number density of molecules? Or is it the number density of atoms?
Ideally, I would like to compute the number density of _molecules_. Specifically, I would like to use the center of mass of each molecule to represent that molecule's position. Then the center of mass of each molecule should be used to calculate the number density of molecules. Do you know if this is possible using any of the Gromacs utilities? Thank you so very much for your time! Andrew DeYoung Carnegie Mellon University -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
