[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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