7 results

These two functions imports and plots the type of .xvg files that the MD package Gromacs uses for some of its text-based data output.

These two functions imports and plots the type of .xvg files that the MD package Gromacs uses for some of its text-based data output. The functions tries to read the names/labels of the plotted data

Convert Gromacs trajectory files (.trr) into 3D matrix in matlab.

directly. This program translates most trr files from recent versions of Gromacs into binary files that can be read quickly and efficiently into Matlabvia readGmx2Matlab.m. readGmx2Matlab.m is a sibling

simple code for reading gro file

Extracts structure data from a Gromacs TPR file and outputs it to PDB format.

%% TPR2PDB.m% % Gromacs is useful for simulating all-atom systems, and it initiates these% simulations with a TPR file. All TPR files contain coordinate data to % initiate the simulation

File parser to read XVG files outputted from GROMACS

gromacs *.gro file creator for a rectangular block of water

This code generates water.gro which contains water molecules in the gromacs supported format with user specified dimensions. User can also offset the water to a particular location by offset

Atomistic Topology Operations in MATLAB (atom), is a MATLAB library for manipulation of (periodic) molecular systems

corresponding structure (.pdb|.gro|.xyz) and topology files (.itp|.psf|.data) for simulations in typical MC/MD packages, such as Gromacs, RASPA2, as well as NAMD, LAMMPS (less tested). For Gromacs, see this link