Example program

Sample GLYLIB Code

Here is a tarball containing an example program, plus input and makefile.

You can also inspect the program and makefile online.

Instructions for using the sample code:

  1. Download the most recent version of GLYLIB.
  2. Make sure you have gcc installed: which gcc (should give a location, not a complaint)
  3. Change to the lib subdirectory in your GLYLIB directory and type “make”.
  4. Download the tarball (above) to some location not in your GLYLIB tree and extract it: tar -xzf GLYLIB_sample_program.tgz
  5. Change into the GLYLIB_sample_program directory.
  6. Edit the file “makefile” so that GLYLIB_BASE path is appropriate to your system.
  7. Type “make”.
  8. Type “change_Carbon 0GAROH_base.top” and see if the output makes sense.
  9. Try it on other prmtop files.
  10. Let Lachele (lachele@gmail.com) know if any of these instructions didn’t work for you or if you have a prmtop file that breaks the program.

We think we fixed reads of AMBER prmtop files generated with sleap/gleap. Let us know if you disagree.