Merge branch 'master' of github.com:jvermaas/vmd-tprreader

README.md

@@ -2,9 +2,9 @@
 Molfileplugin for VMD that lets me read in GROMACS tpr files, with some limitations. These limitations include:
 
 * Only single precision tpr files
-* No position restraints or alchemical changes
+* No alchemical changes
 * The files can't be made by a very old file generator. GROMACS versions prior to 4.0 may be too old to load.
-* Zero guarantees it will work on non-linux systems
+* Zero guarantees it will work on non-linux systems, although the current version works under windows.
 
 To use, you are required to recompile VMD (or at least the molfile plugins), having placed the source files under plugins/molfile_plugin/src, and editing the Makefile in plugins/molfile_plugin. Specifically, you will need to add "tprplugin" to STATICPLUGINS, "tprplugin.so" to PLUGINS, "${ARCHDIR}/tprplugin-s.o" to ARCHIVEOBJS, and add the targets required for building:
 
@@ -18,3 +18,14 @@ ${ARCHDIR}/tprplugin-s.o: tprplugin.C ${PLUGINAPI}
 ```
 
 Now I think this is a very useful feature, however it is not quite ready to be incorparated into VMD proper, as it depends on <rpc/rpc.h>, which is the standard XDR library on Linux systems, but does not have an equivalent in Windows. If you think this is important, help me out by eliminating the dependencies on xdr_read functions! Some of these are equivalent to utilities found in Gromacs.h in the VMD source tree.
+
+## Testing
+
+If you want to see how this works on a set of tprs, you can do the following:
+
+```bash
+make
+./tprtest testtprs/*
+```
+
+That would tell you if your tpr files are readable or not, along with some diagnostic information.