Skip to content
This repository was archived by the owner on Mar 21, 2025. It is now read-only.

rjdkmr/g_RotTransDNA

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

4 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

##g_RotTransDNA


###About

This program calculates rotational/translational displacementof the DNA around/along Z axis with respect to its starting structure (tpr).


###Requirements To compile and install, GROMACS libraries libgmx, libmd, libgmxana are required.


###Download

git clone https://github.com/rjdkmr/g_RotTransDNA

###Installation

cd g_RotTransDNA
mkdir build
cd build
cmake ..  -DGMX_PATH=/opt/gromacs
make
make install

Directory /opt/gromacs should contains include and lib directories. If these directories are in seprate locations, use followings:

cmake ..  -DGMX_LIB=/path/to/lib -GMX_INCLUDE=/path/to/include

If fftw library libfftw3f.so or libfftw3f.a are not present in standard locations:

-DFFTW_LIB=/path/to/fftw3/lib

###Usage

g_RotTransDNA -h

About

To calculate rotational/translational displacement of the DNA from GROMACS MD trajectory

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

 
 
 

Contributors

Languages