[gmx-users] density around protein
matt.wyczalkowski at gmail.com
Sun Apr 5 19:00:14 CEST 2009
g_sorient returns the number of solvent molecules within a given
distance range of a protein -- it may be what you are looking for.
2009/4/5 Morteza Khabiri <khabiri at greentech.cz>:
> Dear gmxusers
> I want to calculate the density of solvent around protein.
> I already tried the commands g_density and g_densmap but the results are
> not the the things that I want. The g_density Compute partial densities
> across the box and g_densmap just give me one black and white photo which
> don't have sense. Is it possible to compute the number of density with
> other commands of gromacs?
> Before thanks
> gmx-users mailing list gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
More information about the gromacs.org_gmx-users