attached is a tar file that contains TFE parameters. also included are charmm22 protein toppar files and example inputs. the TFE parameters are in a toppar stream file that requires a special version of the protein toppar files that includes our revised LJ parameters for the alkanes. the test cases will give you an idea how to use the stream file.


Attached Files
2859-toppar_tfe.tar.gz (0 Bytes, 1636 downloads)

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