rosemary-mantell-cresset

Hi, I'm making an attempt at adding the OPC water model, as we would like to use this at Cresset. I have manually generated an XML file for OPC water,...

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Thanks so much for your reply. The xml file I posted is one created manually that contains details for just HOH. I think I need to use convert_amber.py to add...

I think the error you are seeing is because you are using a newer version of AmberTools. I fixed the above error by adding 'loadamberparams frcmod.tip3p' under 'loadamberparams parm10.dat', but...

I've made the full XML file for OPC with standard ions if you'd like to use it. I'm not associated with openmmforcefields and can't make any guarantees about this XML...