Sample GLYLIB Code
Here is a tarball containing an example program, plus input and makefile.
Instructions for using the sample code:
- Download the most recent version of GLYLIB.
- Make sure you have gcc installed: which gcc (should give a location, not a complaint)
- Change to the lib subdirectory in your GLYLIB directory and type “make”.
- Download the tarball (above) to some location not in your GLYLIB tree and extract it: tar -xzf GLYLIB_sample_program.tgz
- Change into the GLYLIB_sample_program directory.
- Edit the file “makefile” so that GLYLIB_BASE path is appropriate to your system.
- Type “make”.
- Type “change_Carbon 0GAROH_base.top” and see if the output makes sense.
- Try it on other prmtop files.
- Let Lachele (email@example.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.