TensorsCalculator specifications

Information


Unique identifier OMICS_26713
Name TensorsCalculator
Software type Application/Script
Interface Command line interface
Restrictions to use None
Input data A structure file which carries information about the particles’ coordinates and a topology file which contains information about the residue-residue interactions, and the simulation trajectory.
Input format PDB+GROMACS+CHARMm-DCD
Output data A file including dynamics of varying stress values for each amino acid along a simulation. trajectory.
Operating system Unix/Linux
Programming languages C, C++
License GNU General Public License version 2.0
Computer skills Advanced
Stability Stable
Maintained Yes

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Maintainer


  • person_outline Valeri Barsegov <>

Publication for TensorsCalculator

TensorsCalculator institution(s)
Department of Chemistry, University of Massachusetts, Lowell, MA, USA; Moscow Institute of Physics and Technology, Moscow, Russia
TensorsCalculator funding source(s)
Supported by NSF (grant DMR1505662) and a Tripathy Endowed Memorial Summer Graduate Fellowship from the University of Massachusetts Lowell.

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