GROMOS 54A7 Validation in AMBER

A collection of simulations performed in AMBER to validate the parameters in the GROMOS 54A7 force field.

Beta-hairpin peptide GB1

Beta-hairpin peptide GB1 with GROMOS 54A7 in AMBER (replicate 3 of 3).
- in
- nc
- inpcrd
- log
- mden
- prmtop
- pdb
Beta-hairpin peptide GB1

Beta-hairpin peptide GB1 with GROMOS 54A7 in AMBER (replicate 2 of 3).
- in
- nc
- inpcrd
- log
- mden
- prmtop
- pdb
Alpha-helical peptide AP

Alpha-helical peptide AP with GROMOS 54A7 in AMBER (replicate 3 of 3).
- in
- nc
- inpcrd
- log
- mden
- prmtop
- pdb
Alpha-helical peptide AP

Alpha-helical peptide AP with GROMOS 54A7 in AMBER (replicate 2 of 3).
- in
- nc
- inpcrd
- log
- mden
- prmtop
- pdb
Alpha-helical peptide AP

Alpha-helical peptide AP with GROMOS 54A7 in AMBER (replicate 1 of 3).
- in
- nc
- inpcrd
- log
- mden
- prmtop
- pdb

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