[gmx-users] problem with g_density -center

Sanku M msanku65 at yahoo.com
Sun Aug 21 00:46:06 CEST 2011


  I am trying to calculate the density profile of  head group of bilayer normal to z direction using gromacs 4.0.7. I was trying to center the density profile about dx/2.dy/2,0 . But, I am finding problem with using center option. I find using -center option does not shift the bilayer to 0. 
The following was my command-lines:
g_density_4mpi -f ../traj_npt -s ../topol -noxvgr -n ../index -b 600000 -dens number -center -o density_phosphate_symm.xvg

Any help on how to use the center option will be really helpful.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110820/d3dbef18/attachment.html>

More information about the gromacs.org_gmx-users mailing list