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First of all, thank you for taking efforts in reproducing a forcefield for phosphorylation.
When I try to access phosaa14SB.xml through the following commands, it throws a KeyError for "CX"
Also, you shouldn't need to specify the directory if you have installed openmmforcefields via the conda or Python package. If you have done so, this should work:
Dear Team,
First of all, thank you for taking efforts in reproducing a forcefield for phosphorylation.
When I try to access phosaa14SB.xml through the following commands, it throws a KeyError for "CX"
The error seems to be resolved by defining the mass of the following atomtypes in the xml
Could you please confirm the correctness?
Thanks.
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