[gmx-users] problem with g_density -center

[Justin A. Lemkul]

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

-- 
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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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