Optimization of parameters for molecular dynamics simulation using smooth particle‐mesh Ewald in GROMACS 4.5

By Mark James Abraham, Jill E. Gready. Journal of Computational Chemistry, 2011

307 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Plant Science

View Paper: https://www.semanticscholar.org/paper/ce50a5ac71454cd5adb8a09f08de98954216dbde