1 to 10 of 29 Results
Fixed Field Text Data - 10 B -
MD5: 61052a1b1a3d5657e764bd77645f7fd9
Angle parameter water molecule |
Fixed Field Text Data - 16 B -
MD5: b6c47007e182c110962fcecc97b2ee89
Bond parameter water molecule |
Unknown - 555 B -
MD5: afe778bb7b6365a671d12721af78b8ed
GROMACS input file for the equilibration step. |
application/vnd.shana.informed.formtemplate - 600 B -
MD5: fb4437678186a53ae7de2a4d08d50974
Force field parameter file. |
Jupyter Notebook - 9.6 KB -
MD5: 95d54368fb0e46828e822a733a72c2d3
Python notebook for generating initial GROMACS configuration files. |
Python Source Code - 5.5 KB -
MD5: 71380a3b02cbf1ffb0ef83c9b72f0632
Python script for generating initial GROMACS configuration files. |
Jupyter Notebook - 8.5 KB -
MD5: 3a1181d5d5a678467be006b7e66777fd
Python notebook for generating initial LAMMPS configuration files. |
Python Source Code - 5.0 KB -
MD5: f20f3bc50aa945af7e4b97de28c05196
Python script for generating initial LAMMPS configuration files. |
Plain Text - 437 B -
MD5: a47aea84fc1560d71aaf19034190de8e
Water molecule configuration file. |
Unknown - 1.6 KB -
MD5: 3750c0298695d0a2351d00069367669f
LAMMPS input script for GCMC step. |