Messages

1

MD simulations / problem regarding installation of do_X3DNA

« on: June 17, 2017, 02:50:12 am »

Dear users,

I have installed cmake-3.9, fftw-3.3.6,x3dna-v2.3.
But when I am trying to install do_X3DNA it shows error.
I have followed this steps:
1.tar xfz do_x3dna-master.tar.gz     .... works fine
2. cd do_x3dna                                  .....works fine
3.mkdir build                                         .......works fine
4.cd build                                              .......works fine
5.cmake ..  -DGMX_PATH=/opt/gromacs -DCMAKE_INSTALL_PREFIX=/opt/do_x3dna  .... errors occurred

CMake Error: The following variables are used in this project, but they are set to NOTFOUND.
Please set them or make sure they are set and tested correctly in the CMake files:
LIBFFTW
    linked by target "do_x3dna" in directory /home/saikat/gromacs/do_x3dna-master/src
LIBGMX
    linked by target "do_x3dna" in directory /home/saikat/gromacs/do_x3dna-master/src
LIBGMXANA
    linked by target "do_x3dna" in directory /home/saikat/gromacs/do_x3dna-master/src
LIBMD
    linked by target "do_x3dna" in directory /home/saikat/gromacs/do_x3dna-master/src

-- Configuring incomplete, errors occurred!
See also "/home/saikat/gromacs/do_x3dna-master/build/CMakeFiles/CMakeOutput.log".


what should i do ?? help me out

Thanks and regards

Saikat

2

MD simulations / Re: Analysis of Amber .mdcrd File

« on: June 15, 2017, 11:47:47 am »

Dear sir,

I am using AMBER package. I want to know is it possible to calculate Torsional angle wheel for average angles of segment of a bound and an unbound DNA from AMBER trajectory file (.mdcrd) ??

Thanks and regards.

saikat