Enforced rotation

[alexxy/gromacs.git] / src / kernel / readir.h

diff --git a/src/kernel/readir.h b/src/kernel/readir.h
index d9a18e4f7426880327cf846c62d36bb795e0eb08..3f99910756986cca0381b202dd243f1c84a47303 100644 (file)
--- a/src/kernel/readir.h
+++ b/src/kernel/readir.h
@@ -136,4 +136,14 @@ extern void set_pull_init(t_inputrec *ir,gmx_mtop_t *mtop,rvec *x,matrix box,
  * If bStart adds the distance to the initial reference location.
  */
 
+extern char **read_rotparams(int *ninp_p,t_inpfile **inp,t_rot *rot,warninp_t wi);
+/* Reads enforced rotation parameters, returns a list of the rot group names */
+
+extern void make_rotation_groups(t_rot *rot,char **rotgnames,
+                 t_blocka *grps,char **gnames);
+/* Process the rotation parameters after reading the index groups */
+
+extern void set_reference_positions(t_rot *rot, gmx_mtop_t *mtop, rvec *x, matrix box,
+        const char *fn, gmx_bool bSet, warninp_t wi);
+
 #endif /* _readir_h */