added Verlet scheme and NxN non-bonded functionality

[alexxy/gromacs.git] / src / mdlib / shakef.c

diff --git a/src/mdlib/shakef.c b/src/mdlib/shakef.c
index 7f003fe670973bc10d0704008fe898334425aa1a..10978411241658f07a78485f38b5b0a4dd8d6a21 100644 (file)
--- a/src/mdlib/shakef.c
+++ b/src/mdlib/shakef.c
@@ -359,7 +359,7 @@ static void check_cons(FILE *log,int nc,rvec x[],rvec prime[], rvec v[],
 
 gmx_bool bshakef(FILE *log,gmx_shakedata_t shaked,
              int natoms,real invmass[],int nblocks,int sblock[],
-             t_idef *idef,t_inputrec *ir,matrix box,rvec x_s[],rvec prime[],
+             t_idef *idef,t_inputrec *ir,rvec x_s[],rvec prime[],
              t_nrnb *nrnb,real *lagr,real lambda,real *dvdlambda,
              real invdt,rvec *v,gmx_bool bCalcVir,tensor rmdr,gmx_bool bDumpOnError,int econq,t_vetavars *vetavar)
 {