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Lipid | 1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine (POPC) Pubchem CID:5497103 |
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Forcefield | CHARMM27 |
Code | NAMD |
Authors | - |
Licence | ![]() ![]() |
Curator | Philip Fowler |
Abstract | modified CHARMM27 POPC parameters The IC (internal coordinates) rows in the POPC residue are incorrect. Usually this is not a problem but if one is adding hydrogens and getting psfgen to guess their positions then the errors in the IC rows will cause the hydrogens to be added in very strange ways. This might happen if you are converting a CG or Gromacs structure containing POPC to CHARMM for running with NAMD. I fixed this a while ago but I am not sure how! |
No references added yet.
Version | 1 | ||
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