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I generated topology for a small mol using ACPYPE and trying to merge gaff2.dat with the .frcmod via 'processAmberForceField.py' but I'm getting the following error:
Generating using ACPYPE a gaff type topology and merging it to gaff.dat works perfectly. The way I see it, 'ns' is a valid GAFF2 atom type so am not sure what's going on. I'm using gaff2.dat distributed in AmberTool18.
Thanks in advance.
The text was updated successfully, but these errors were encountered:
Hi,
I generated topology for a small mol using ACPYPE and trying to merge gaff2.dat with the .frcmod via 'processAmberForceField.py' but I'm getting the following error:
...
element_symbol = md.formats.mol2.gaff_elements[atype]
KeyError: 'ns'
Generating using ACPYPE a gaff type topology and merging it to gaff.dat works perfectly. The way I see it, 'ns' is a valid GAFF2 atom type so am not sure what's going on. I'm using gaff2.dat distributed in AmberTool18.
Thanks in advance.
The text was updated successfully, but these errors were encountered: