[gmx-users] AMBER99SB-ILDNP and AMBER99SB*-ILDNP

Grom Macs grom512 at gmail.com
Mon Jun 23 11:53:08 CEST 2014


Dear all,

Force fields AMBER99SB-ILDNP and AMBER99SB*-ILDNP with new proline (Pro)
and 4-hydroxyproline (Hyp) dihedarl parameters are available for
downloading from

http://www.ucl.ac.uk/nmr/research

or

http://www.gromacs.org/Downloads/User_contributions/Force_fields.

Correlation times and NMR J-couplings were used in deriving new Pro and Hyp
parameters. See full details in Proteins, 2014, 82, 195.

To use these force fields, unzip and untar the downloaded files in your
gromacs/share/gromacs/top directory.

Thank you,
Abil


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