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Main application of ms2 is on fluids. Free open source: ms-2.de: OpenMM: No No Yes Yes Yes Yes No Yes Yes High Performance MD, highly flexible, Python scriptable Free open source MIT: OpenMM: Orac: No No Yes Yes No Yes No Yes No Molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomic level ...
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a molecular dynamics program from Sandia National Laboratories. [1] LAMMPS makes use of Message Passing Interface (MPI) for parallel communication and is free and open-source software , distributed under the terms of the GNU General Public License .
This is a list of free and open-source software (FOSS) packages, computer software licensed under free software licenses and open-source licenses.Software that fits the Free Software Definition may be more appropriately called free software; the GNU project in particular objects to their works being referred to as open-source. [1]
Rig control companion program Flarq: Automatic Repeat reQuest companion program for Fldigi GNU Radio: GPL: Windows, macOS, Linux: software-defined radio and signal processing SDRangel: GPL: Windows, macOS, Linux: software-defined radio SDR# Freeware Windows software-defined radio receiver SDR++: GPL: Windows, macOS, Linux, Android: software ...
Local search with fast k-tuple heuristic, slower but more sensitive than BLAST: Both: GGSEARCH, GLSEARCH Global:Global (GG), Global:Local (GL) alignment with statistics: Protein: Genome Magician Software for ultra fast local DNA sequence motif search and pairwise alignment for NGS data (FASTA, FASTQ). DNA: Hepperle D (www.sequentix.de) 2020 ...
This application performs multiple and pairwise sequence alignments, provides alignment editing, and generates phylogenetic trees. Maximum Likelihood (RAxML) and Neighbor-Joining DNASTAR: Mesquite: Mesquite is software for evolutionary biology, designed to help biologists analyze comparative data about organisms.
The Lennard-Jones Potential is a mathematically simple model for the interaction between a pair of atoms or molecules. [3] [4] One of the most common forms is = [() ()] where ε is the depth of the potential well, σ is the finite distance at which the inter-particle potential is zero, r is the distance between the particles.
The reference implementations of the OPLS force field are the BOSS and MCPRO programs developed by Jorgensen. Other packages such as TINKER , GROMACS , PCMODEL , Abalone , LAMMPS , Desmond and NAMD also implement OPLS force fields.