[gmx-users] Question regarding calculation of thickness using GridMAT-MD

ali.khourshaei71 at student.sharif.edu ali.khourshaei71 at student.sharif.edu
Fri Mar 10 16:16:10 CET 2017


Dear Gromacs users, 

I've used Gridmat-MD to obtain the bilayer thickness and its output is
as follow: 

4.029
4.029
4.0735
3.928
3.9245
3.914
3.8955
4.1755
4.349
4.349
4.426
4.236
4.236
4.1215
4.007
4.007
4.037
4.199
4.029
4.029
4.029
4.074
4.074
3.928
3.9175
3.914
3.914
4.1315
4.349
4.349
4.2925
4.0525
4.236
4.007
3.9445
3.9445
4.199
4.199
4.199
4.029
3.8695
4.074
4.074
3.921
3.921
3.9365
3.933
4.1505
4.1505
3.991
3.751
3.869
3.869
3.882
3.882
4.0405
4.199
3.997
3.73
3.8695
3.8695
4.074
4.074
3.9975
3.921
3.9365
3.903
3.913
3.7535
3.7535
3.751
3.869
3.869
3.8755
3.882
3.8055
3.997
3.73
3.73
3.8695
3.9235
4.1035
3.9445
3.9445
3.9365
3.903
3.854
3.864
3.874
3.7535
3.716
3.834
3.834
3.61
3.8055
3.729
3.729
3.73
3.73
3.9235
4.182
4.1035
3.9445
3.9445
3.806
3.801
3.854
3.864
3.874
3.874
3.9225
3.885
3.7045
3.61
3.7685
3.729
3.729
3.846
3.846
4.182
4.014
4.182
3.81
3.837
3.748
3.748
3.626
3.504
3.504
4.022
4.0705
3.885
3.6075
3.766
3.7685
4.211
4.211
3.846
3.846
4.014
3.932
3.996
3.81
3.81
3.748
3.748
3.654
3.504
3.504
4.17
4.17
3.8875
3.6075
3.766
3.766
4.211
4.211
3.682
3.682
3.932
3.682
3.952
3.952
4.078
4.078
4.235
4.098
3.804
3.8765
4.0595
4.0595
3.732
3.913
4.221
3.937
3.653
4.005
3.682
3.682
3.682
3.753
3.9235
4.086
4.078
4.078
4.392
4.392
3.804
3.949
3.949
3.859
3.859
4.221
4.221
3.937
3.653
3.726
3.799
3.682
3.753
3.753
3.753
4.0895
4.252
4.1965
4.1795
4.392
4.098
4.203
3.904
3.859
3.859
4.221
4.221
3.8845
3.6005
3.799
3.799
3.8965
3.753
3.8965
3.753
4.155
4.2905
4.1965
4.219
4.471
4.457
4.457
4.457
3.859
3.9615
3.83
3.7735
3.7495
3.759
3.759
3.9195
3.8965
3.8965
3.948
3.948
4.155
4.155
4.061
4.471
4.471
4.457
4.457
4.457
4.064
4.064
3.849
3.9
3.9
3.995
3.995
4.005
4.076
3.948
4.059
4.059
4.155
4.155
3.9815
4.471
4.398
4.351
4.377
4.377
4.064
4.064
3.849
3.849
3.9
4.02
4.02
4.112
4.112
4.059
3.939
3.939
4.266
3.9815
3.9815
4.1395
4.296
4.351
4.377
4.377
4.064
4.015
4.1125
4.0295
4.21
4.02
4.02
4.112
4.112
3.939
3.939
3.939
4.377
4.324
4.0395
4.267
4.267
4.267
4.3475
4.4025
4.412
4.015
4.015
4.21
4.21
4.079
3.948
3.948
3.903
3.939
3.903
4.377
4.377
4.324
4.0395
4.269
4.267
4.267
4.3475
4.6185
4.412
4.412
4.025
4.1225
4.0425
3.875
3.948
3.948
3.903
3.903
4.029
4.2945
4.2945
4.2415
4.2415
3.877
4.1755
4.474
4.474
4.809
4.809
4.035
4.035
4.035
3.875
3.875
3.7255
3.7255
3.966
4.029
4.029
4.029
4.0735
4.0735
3.906
3.877
3.877
4.474
4.474
4.579
4.426
4.3695
4.1355
4.021
3.941
3.875
3.7255
3.7255
4.029
4.029
4.029
4.029
4.0735
3.928
3.9245
3.914
3.8955
4.1755
4.349
4.349
4.426
4.236
4.236
4.1215
4.007
4.007
4.037
4.199
4.029
4.029 

So now, should I report the average of the above data as the thickness? 

Thanks in advance, 

Ali


More information about the gromacs.org_gmx-users mailing list