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normal parametrization of normal tetronics T701

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3 years 3 weeks ago - 3 years 3 weeks ago #8898 by cm
parametrization of normal tetronics T701 was created by cm
CH3 CH3
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H(OCH2CH2)2(OCHCH2)14 -NCH2CH2N-(CH2CHO)14(CH2CH2O)2H
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H(OCH2CH2)2(OCHCH2)14 (CH2CHO)14(CH2CH2O)2H
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CH3 CH3
Can anyone please suggest me, how i can parametrize this molecule.
Previously i did not any work on polymer by using martini force field.
Basically the itp file of ppe and ppo are given in the martini tutorial, i am not getting any point how, i will connect this two bridging the -NCH2CH2N- moiety.
Last edit: 3 years 3 weeks ago by cm.

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3 years 3 weeks ago #8899 by vainikka
Replied by vainikka on topic parametrization of normal tetronics T701
Hi,

We have tutorials set up for this:
cgmartini.nl/index.php/tutorials-general...ng-new-molecule-gmx5

If you are using Martini 3, then use the corresponding M3 tutorial.

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