[AMBER] query regarding heme forcefield parameters

From: Patil Pranita Uttamrao <bo19resch01001.iith.ac.in>
Date: Fri, 19 Feb 2021 15:37:27 +0530

Dear AMBER users,

I am writing this to inquire regarding the forcefield parameters for
the heme group.
I need the forcefield parameters for the heme group to run the MD
simulation of a protein having a heme group. Although forcefield parameters
are available for the heme group in literature, I have noticed that it
varies between different proteins *(for example, myoglobin).* Since the
AMBER forcefield database has the forcefield information for the heme group
(when it is a part of myoglobin), can the same parameters be used for other
proteins having heme as the co-factor? or should we use the heme
parameters specific to that particular protein? I will be grateful for any

Thanks and regards,

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Received on Fri Feb 19 2021 - 02:30:01 PST
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