[gmx-users] g_clustsize

[mohammad agha]

Dear Gromacs users

I have one big problem with g_clustsize!

I see 9 micelles in my system after running. When I use g_clustsize for number of clusters and average cluster size, they don't emphasize each other, and I see 9 micelles from 360000 ps to 1200000 ps in my box, but results of nclust.xvg is not regular and have very fluctuations. I examine these results in different -cut. Please see my results:
nclust.xvg
  9.240000e+05          11
  9.300000e+05          11
  9.360000e+05           9
  9.420000e+05           7
  9.480000e+05           5
  9.540000e+05           6
  9.600000e+05          16
  9.660000e+05          13
  9.720000e+05          13
  9.780000e+05          12
  9.840000e+05           9
  9.900000e+05          12
  9.960000e+05           7
  1.002000e+06          13
  1.008000e+06          10
  1.014000e+06           5
  1.020000e+06           8
  1.026000e+06           4
  1.032000e+06           5
  1.038000e+06          10
  1.044000e+06          10
  1.050000e+06           8
  1.056000e+06           9
  1.062000e+06           8
  1.068000e+06           5
  1.074000e+06          12
  1.080000e+06          11
  1.086000e+06           8
  1.092000e+06           8
  1.098000e+06           9
  1.104000e+06          10
  1.110000e+06           8
  1.116000e+06          10
  1.122000e+06           8
  1.128000e+06           4
  1.134000e+06           5
  1.140000e+06          10
  1.146000e+06          10
  1.152000e+06          11
  1.158000e+06          10
  1.164000e+06           7
  1.170000e+06           6
  1.176000e+06           4
  1.182000e+06          14
  1.188000e+06           8
  1.194000e+06           2
  1.200000e+06           6

and avclust.xvg:

9.840000e+05      83.333
  9.900000e+05      62.500
  9.960000e+05     107.143
  1.002000e+06      57.692
  1.008000e+06      75.000
  1.014000e+06     150.000
  1.020000e+06      93.750
  1.026000e+06     187.500
  1.032000e+06     150.000
  1.038000e+06      75.000
  1.044000e+06      75.000
  1.050000e+06      93.750
  1.056000e+06      83.333
  1.062000e+06      93.750
  1.068000e+06     150.000
  1.074000e+06      62.500
  1.080000e+06      68.182
  1.086000e+06      93.750
  1.092000e+06      93.750
  1.098000e+06      83.333
  1.104000e+06      75.000
  1.110000e+06      93.750
  1.116000e+06      75.000
  1.122000e+06      93.750
  1.128000e+06     187.500
  1.134000e+06     150.000
  1.140000e+06      75.000
  1.146000e+06      75.000
  1.152000e+06      68.182
  1.158000e+06      75.000
  1.164000e+06     107.143
  1.170000e+06     125.000
  1.176000e+06     187.500
  1.182000e+06      53.571
  1.188000e+06      93.750
  1.194000e+06     375.000
  1.200000e+06     125.000
Whereas the size of clusters in the box are similar when I see with ngmx. I don't know where is my problem!!!


May I ask you to help me Please?
Best Regards
Sara