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Article ID: 1449 - Last Modified:

When assigning force field parameters with Viparr, I get an error like the following:

Error: Struct 2, Res <"A",1> (A) not matched by any force field template with formula C(10)H(12)N(5)O(6)P(1)

Why is this?

Viparr requires all residues in the system to be templated. It may be used to assign force field parameters to residues with templates in the published versions of the supported force fields. Asking Viparr to assign parameters for residues outside these standard residue sets results in an error similar to the one above. If you encounter such an error, consider using the OPLS_2005 force field for your simulations.

Keywords: Desmond, viparr, force field

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