Comparative Analysis of Structural and Dynamical Properties of Lipid Membranes Simulated with the AMBER Lipid21 ForceField Using SPC/E, TIP3P, TIP3P-FB, TIP4P-FB, TIP4P-Ew, TIP4P/2005, TIP4P-D, and OPC Water Models
Sudip Chakraborty, Praval Pratap Singh, Chandraniv Dey, Jasmeen Kaur
The paper compares lipid membrane simulations using different water models with the AMBER Lipid21 force field, finding SPC/E provides the best structural and dynamic agreement with experiments.
bioRxiv · Mar 12, 2026 · PreprintBioinformatics