Hello,
I am generating parameter for oxy-heme B (having net charge zero) using mcpb in AMBER.
When using reduce command to add hydrogen, it is adding hydrogen to the whole molecule except the propionate group. To make the whole molecule charge neutral I need to add hydrogen on propionate.
Kindly suggest how to do it
Best Regards
Pragya Priyadarshini
Bioinformatics Center
CSIR-IMTECH
Chandigarh, INDIA
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Received on Mon Feb 03 2020 - 21:00:02 PST
