8 results for “topic:packmol”
Tool to build force field input files for molecular simulation
Create atomistic structures with ASE, rdkit and packmol
Playmol is a(nother) software for building molecular models
A SEAMM plug-in for building periodic boxes of fluid using Packmol
The Simple Python Computational Chemistry Interface (SPyCCI) provides a simple interface to run calculation and analysis using a wide range of computational chemistry softwares.
Contains input files and workflows underlying J. L. Hörmann, C. (刘宸旭) Liu, Y. (孟永钢) Meng, and L. Pastewka, “Molecular simulations of sliding on SDS surfactant films,” The Journal of Chemical Physics, vol. 158, no. 24, p. 244703, Jun. 2023, doi: 10.1063/5.0153397. as well as an installable Python package jlhpy.
M.Tech Project QMEL LAB IIT Kharagpur
Scripts related to the pMMO hexameric array project