GolP files, Au(111), for GROMACS <4.5. By downloading these files, you accept to use them under the GNU GPL
https://www.gnu.org/licenses/gpl.html . The files come with no warranty to be correct. If you use GolP in any scientific pubblication, please cite:
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- F. Iori, R. Di Felice, E. Molinari, S Corni, GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces, J. Comput. Chem. 30, 1465 (2009).
- F. Iori, S. Corni, Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces, J. Comput. Chem. 29, 1656 (2008).
GolP-CHARMM files, Au(111) and Au(100) (1×1). By downloading these files, you accept to use them under the GNU GPL
https://www.gnu.org/licenses/gpl.html . The files come with no warranty to be correct. If you use GolP-CHARMM in any scientific pubblication, please cite:
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- L. B. Wright, P. M. Rodger, S. Corni, T. R. Walsh. GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100). J. Chem. Theory Comp. 9, 1616 (2013)
- F. Iori, S. Corni, Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces, J. Comput. Chem. 29, 1656 (2008).