[gmx-users] Generation of density curve for biphasic system

[Debraj Das]

Dear GROMACS user,

I am trying to get the profile of density at interface for water/dodecane
biphasic system.

First I have prepared my index file with the command below

*gmx_mpi make_ndx -f confout.gro*  and it will genetare index.ndx.

Then I have tried the command for interface density


*gmx_mpi densorder -s topol.tpr -f traj.trr -n index.ndx -o density.dat*
But it will not write density.dat file.

How the density profile can be generated ? Is there any other command to
execute ? I need help in this regards.


With thanx and regards
Devraj Das