[gmx-users] Improper dihedral and trans double bond

Patel Ronak Y ronakp at iitb.ac.in
Thu Oct 14 14:48:41 CEST 2004


Dear all,

I wish to simulate lipid molecule having trans double (CH2-CH1=CH1-CH2)
bond in the hydrocarbon tail.

Do I have to enter improper dihedral to maintain planarity of this double
bond in the rtp file (the way we maintain planarity for cis double bond).

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Patel Ronak Y.
School of Bioscience and Bioengineering,
Indian Institute of Technology Bombay,
Mumbai-400076
Maharashtra
India.

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