Sanku M wrote:
Hi,
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.
For this purpose, trjconv is more reliable.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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