Comments (2)
aliaclarkelsayed
commented on July 30, 2024
This was solved by using the newer openmmforcefields (openmmforcefields=0.13.0=pyhd8ed1ab_0).
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aliaclarkelsayed
commented on July 30, 2024
I am now getting the following error:
Source 'gaff-2.11' could not be read. If this is a file, ensure that the path is correct.
I am seeing that openmmforcefields==0.13.0 removes GAFF. openmmforcefields==0.13.0 was required to resolve the above error as openmmforcefields==0.11.2 and ambertools ==23.3 were incompatible.
Is there an updated yml file where the environment resolves and switching openmmforcefields versions isn't required?
Thanks!
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