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Article ID: 914 - Last Modified:

I want to modify the OPLS force field for Glide. Is there a way to specify the force field path that Glide uses?

Yes, you can set the environment variable OPLS_DIR to the directory that contains the modified force field files. This directory must have subdirectories for the force field you want to modify: f11 for OPLS_2001, f14 for OPLS_2005. These subdirectories only need to contain the modified files, because the default location is used as a fallback.

Keywords: force field, Glide

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