[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
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