[gmx-users] Need parameter file of heme with ligated form

[Rajiv Gandhi]

Hello gmx users,

Its already requested questions but still i need to get it.

Does anyone has parameters for oxygen or carbon monoxide bound to the
heme in myoglobin or hemoglobin in both bound ( 6 coordinates),
unbound (5 coordinates) form? As i known from the few articles, these
parameters are available in amber distribution and need own knowledge
modification. I hope, there must be number of people worked through
gromacs and might have topology files for these in .gro format. It
would be really appreciated if you can provide me. Thanks a lot in
advance.


Yours

Raju