There is no need for these files, the water models
should be included from the corresponding .ff directory.
Since many users are likely to still use those files,
an error message is printed.
Also re-added ions.itp and treated it similarly.
Also update an integration test that was using a one of the top-level
water .itp files that is now removed.
Change-Id: I599e203329340587afa7fc5efced485d09b9ce1c
14 files changed:
-; This file is for backward compatibility only.
-; Please directly include the file below in your .top file.
-#include "gromos43a1.ff/forcefield.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "gromos43a1.ff/forcefield.itp"
-; This file is for backward compatibility only.
-; Please directly include the file below in your .top file.
-#include "gromos43a2.ff/forcefield.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "gromos43a2.ff/forcefield.itp" etc.
-; This file is for backward compatibility only.
-; Please directly include the file below in your .top file.
-#include "gromos45a3.ff/forcefield.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "gromos45a3.ff/forcefield.itp"
-; This file is for backward compatibility only.
-; Please directly include the file below in your .top file.
-#include "gromos53a5.ff/forcefield.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "gromos53a5.ff/forcefield.itp" etc.
-; This file is for backward compatibility only.
-; Please directly include the file below in your .top file.
-#include "gromos53a6.ff/forcefield.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "gromos53a6.ff/forcefield.itp"
-; This file is for backward compatibility only.
-; Please directly include the file below in your .top file.
-#include "oplsaa.ff/forcefield.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/forcefield.itp" etc.
-#define FLEXIBLE
-#include "spc.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/spc.itp", "gromos43a1.ff/forcefield.itp" etc.
-#define FLEXIBLE
-#include "spce.itp"
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "#define FLEXIBLE" and "oplsaa.ff/spce.itp"
--- /dev/null
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/ions.itp"
-; This file is for backward compatibility only.
-; Please directly include the spc.itp file from your force field directory.
-#ifdef _FF_GROMACS
-#include "gmx.ff/spc.itp"
-#endif
-#ifdef _FF_GROMOS96
-#include "gromos43a1.ff/spc.itp"
-#endif
-#ifdef _FF_OPLS
-#include "oplsaa.ff/spc.itp"
-#endif
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/spc.itp"
-; This file is for backward compatibility only.
-; Please directly include the spce.itp file from your force field directory.
-#ifdef _FF_GROMACS
-#include "gmx.ff/spce.itp"
-#endif
-#ifdef _FF_GROMOS96
-#include "gromos43a1.ff/spce.itp"
-#endif
-#ifdef _FF_OPLS
-#include "oplsaa.ff/spce.itp"
-#endif
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/spce.itp"
-; This file is for backward compatibility only.
-; Please directly include the tip3p.itp file from your force field directory.
-#ifdef _FF_GROMACS
-#include "gmx.ff/tip3p.itp"
-#endif
-#ifdef _FF_GROMOS96
-#include "gromos43a1.ff/tip3p.itp"
-#endif
-#ifdef _FF_OPLS
-#include "oplsaa.ff/tip3p.itp"
-#endif
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/tip3p.itp"
-; This file is for backward compatibility only.
-; Please directly include the tip4p.itp file from your force field directory.
-#ifdef _FF_GROMACS
-#include "gmx.ff/tip4p.itp"
-#endif
-#ifdef _FF_GROMOS96
-#include "gromos43a1.ff/tip4p.itp"
-#endif
-#ifdef _FF_OPLS
-#include "oplsaa.ff/tip4p.itp"
-#endif
+#error This top-level .itp file has been removed. Edit your topology to include it from your force field directory instead, e.g. "oplsaa.ff/tip4p.itp"
#include "oplsaa.ff/forcefield.itp"
; Include water topology
#include "oplsaa.ff/forcefield.itp"
; Include water topology
+#include "oplsaa.ff/tip3p.itp"