Hi
I am having a system in which HEME FE is bounded to Cys S.
When I am using HEME amber parameters and manually giving bond between FE and S, I am getting an error
Could not find bond parameter for: SH - FE
Building angle parameters.
Could not find angle parameter: SH - FE - NP
Could not find angle parameter: SH - FE - NO
Could not find angle parameter: SH - FE - NP
Could not find angle parameter: SH - FE - NO
Could not find angle parameter: CT - SH - FE
Building proper torsion parameters.
** No torsion terms for CT-SH-FE-NP
** No torsion terms for CT-SH-FE-NO
** No torsion terms for CT-SH-FE-NP
** No torsion terms for CT-SH-FE-NO
How should I solve this problem.
with regards,
-AT
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Received on Mon Apr 17 2017 - 10:00:02 PDT
