Author: Eric Wang

Please email me at ericzwang@gmail.com if something isn't clear

Mutating a lipid means changing its chemical structure. We do this when our membrane contains a lipid which is not available by default in the CHARMM force field, but the structure is similar to an existing lipid. To mutate a lipid, you'll need to create your membrane with the pre-mutated lipids using CHARMM-GUI first.

Once that is done, modify the relevant .str file to include your mutated lipid. See the following path on DT2 for an example for mutating CER240 to CER6. /lustre/ewang125/scripts/mutate/toppar_all36_lipid_sphingo.str