[gmx-users] question about g_density

jhosamelly ducut_melsarose at yahoo.com
Fri Feb 14 12:55:47 CET 2014


Hi! Follow up question on this.

I'm getting the xvg file i want but the interval is .5.

This is too big for me since I want to get the bilayer thickness.

what additional options should I add to 

g_density -f confout.gro -n index.ndx -o martini.xvg

to get a better xvg output file.

BTW, I increased the box size along the Z to have some vacuum on the system.

when I haven't done this I got.

         0                0
    0.131134           21.208
    0.262267           42.416
    0.393401           42.416
    0.524534          169.664
    0.655668          381.744
    0.786802          360.536
    0.917935           212.08
     1.04907          190.872
      1.1802           42.416
     1.31134                0
     1.44247                0
      1.5736                0
     1.70474                0
     1.83587                0
       1.967                0
     2.09814                0
     2.22927                0
      2.3604                0
     2.49154                0
     2.62267                0
     2.75381                0
     2.88494                0
     3.01607                0
     3.14721                0
     3.27834                0
     3.40947                0
     3.54061                0
     3.67174                0
     3.80287                0
     3.93401                0
     4.06514                0
     4.19628                0
     4.32741                0
     4.45854                0
     4.58968                0
     4.72081                0
     4.85194           63.624
     4.98308          127.248
     5.11421          296.912
     5.24534           318.12
     5.37648          339.328
     5.50761           84.832
     5.63874           21.208
     5.76988                0
     5.90101                0
     6.03215                0
     6.16328                0
     6.29441                0
     6.42555                0

density for P*. 

then when I increased the box size along the z the density output for P*
became


           0                0
         0.5                0
           1                0
         1.5                0
           2                0
         2.5                0
           3                0
         3.5                0
           4                0
         4.5                0
           5                0
         5.5                0
           6                0
         6.5                0
           7                0
         7.5                0
           8                0
         8.5                0
           9          5.56217
         9.5          150.178
          10          228.049
        10.5                0
          11                0
        11.5                0
          12                0
        12.5                0
          13                0
        13.5                0
          14          139.054
        14.5          189.114
          15                0
        15.5                0
          16                0
        16.5                0
          17                0
        17.5                0
          18                0
        18.5                0
          19                0
        19.5                0
          20                0
        20.5                0
          21                0
        21.5                0
          22                0
        22.5                0
          23                0
        23.5                0
          24                0
        24.5                0

Thanks guys! :)

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