[gmx-users] how to compute the solvent density distribution around solute and visulize it

Jinyao Wang wangjy at ciac.jl.cn
Tue Dec 9 16:21:31 CET 2008


gmx-usershello,gmx-users
    I would like to compute the solvent density distribution around solute and visualize the solvent density maps around solute. I have read the manual and known the g_densmap could do it. I have carried out the g_densmap as follow, 
    g_densmap -f traj.xtc -s topol.tpr -n index.ndx -bin 0.1 -n1 6 -n2 6 -amax 3 -rmax 6 -mirror -unit count -o densmap.xpm
    xpm2gs -f densmap.xpm -nice 10 -size 400 -rainbow -o plot.eps

   But the plot.eps is not the figure in the link http://p13.freep.cn/p.aspx?u=v20_p13_p_0812092310359766_0.jpg 
   I want to know more details about how to get the figure in the link. it is appreciated if you could give me some suggestion

        
 				

        Jinyao Wang
        wangjy at ciac.jl.cn
          2008-12-09


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