How to add new residue in the lipids.rtp in charmm27.ff?

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1

Hello,
I would like to add new residue in the lipids.rtp files of charmm27.ff. I have added the new residue namely “dop” although also updated the residuetypes.dat files and put my residue and lipid names there, but it still showed errors. Which is “the dop not found in the residue topology”.

2

what is dop? if it is dopc it is there already in charmm36

3

My Molecules name is (1,2-dioctanoyl-sn-glycero-3-phosphocholine) so give residue name dop. this is not present there because shows me the errors. that’s why try to add the residue.

4

use charmm-gui

5

I have already use charmm GUI but the molecules is not found in charmm GUI… because minimum tails of charmm gui is start from 14. But molecules tails is 8 carbons

6

Can u tell where is this molecules in charmm GUI?

7

the dop not found in the residue topology”. >> can you share your topology and other itp files where you modified here via any filesharing.