#include "mdrun.h"
#include "network.h"
#include "pull.h"
+#include "pull_rotation.h"
#include "names.h"
#include "disre.h"
#include "orires.h"
init_pull(fplog,inputrec,nfile,fnm,mtop,cr,oenv,
EI_DYNAMICS(inputrec->eI) && MASTER(cr),Flags);
}
+
+ if (inputrec->bRot)
+ {
+ /* Initialize enforced rotation code */
+ init_rot(fplog,inputrec,nfile,fnm,cr,state->x,state->box,mtop,oenv,
+ bVerbose,Flags);
+ }
constr = init_constraints(fplog,mtop,inputrec,ed,state,cr);
{
finish_pull(fplog,inputrec->pull);
}
+
+ if (inputrec->bRot)
+ {
+ finish_rot(fplog,inputrec->rot);
+ }
+
}
else
{