Found 38 repositories(showing 30)
jewettaij
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
jewettaij
generate random lattice Hamiltonian paths (space-filling curves) in N dimensions
DReGuerra
Introduction to molecular dynamics simulations using PACKMOL, Moltemplate, and LAMMPS
asteeves
Atom typing for moltemplate using RDKit
piskuliche
Python script for converting Martini ITP files to moltemplate force field files.
BrianOn99
propane united atom with oplsaa_moltemplate.py fix
m-bone
The DREIDING force field recreated in Moltemplate
hosseinv93
Converting itp file used in Gromacs to lt file used in Moltemplate
C2jeremy
A comprehensive tool for converting GROMACS files to LAMMPS format via moltemplate
cesarapz
Eafitdm2 is a program that integrates the functionalities of LigParGen, Packmol and Moltemplate, to generate the input files to carry out molecular dynamics simulations with Lammps
jewettaij
A tool to run simulations of molecular assemblies created by CellPACK using moltemplate and LAMMPS
conda-forge
A conda-smithy repository for moltemplate.
saeid-lab
moltemplate lt generator
alexfleury
Moltemplate file for biochemistry simulation.
TheStonedCritic
Input files used by Moltemplate to generate Lammps input files for running MD simulations of toy polymer. Lennard-Jones nonbonded interactions
seatonullberg
LT template files I use to run LAMMPS simulations with moltemplate
TheStonedCritic
Input files used by Moltemplate to generate Lammps input files for running MD simulations of IDP. IDP in this case is hst5 like polymer with Lennard-Jones potential and coulombic non-bonded interactions
mkatouda
File converter from mol2 file to Moltemplate LT file.
goranbs
Implementing the core-shell model for a Calcite system. Moltemplates and inputfiles for LAMMPS
jewettaij
A general cross-platform text-based molecule builder for ESPResSo similar to moltemplate
ifas-vn
No description available
danwang112233
No description available
abiumich
Molecule_Creations
aamirlab2023
No description available
tonnamb
No description available
tqqviet
No description available
zimka
No description available
A python code to generate *.lt files for moltemplate from *.cml files generated by avogadro
Femmionic
Contains scripts to generate LAMMPS datafiles with randomly oriented chains using Moltemplate.
TheStonedCritic
Input files used by Moltemplate to generate Lammps input files for running MD simulations of IDP. IDP in this case is hst5 like polymer with Lennard-Jones potential and coulombic non-bonded interactions