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  • Rajat Desikan
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12 years 1 month ago #921 by Rajat Desikan
Reverse transformation was created by Rajat Desikan
Hi all
I have to carry out a reverse mapping of a popc bilayer. This is the mapping that I have generated for the .itp file.

Is the Atomistic to CG mapping POPC that I have done for POPC correct?

[ mapping ]
cg i j k l m
1 1 2 3 4 5 6
2 7 8 9 10 11
3 12 13 14 15 16
4 34 35 36 37
5 38 39 40 41
6 42 43 44 45
7 46 47 48 49
8 50 51 52
9 17 18 19 20
10 21 22 23
11 24 25 26
12 27 28 29 30
13 31 32 33

Thanks!

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  • andrzej
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12 years 1 month ago #923 by andrzej
Replied by andrzej on topic Reverse transformation
Hey,

There should be info about mapping in original martini papers. However for some beads (e.g. last tail beads) you will not keep the 4 to 1 ratio but will end up with ratio 3-1 or 5-1. Inspect result of g_fg2cg with VMD to see how the mapped structure look like.


Andrzej

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  • Rajat Desikan
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12 years 1 month ago #925 by Rajat Desikan
Replied by Rajat Desikan on topic Reverse transformation
Will do. Thanks Andrez...

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