How to change a Dihedral angle of lipids molecule in Gromacs/Charmm gui ?

05 February 2024 0 6K Report

Dear all

I'm trying to prepare a lipid bilayer system having more than 100+ no of a specific single lipid. I want to change the conformation of cis bond of lipid into trans form and then perform MD simulation of the resultant.

Can anyone please suggest me anything regarding this aspect. Your help will be highly appreciable.

Best regards

Ishwar

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