return min1-min2;
}
-static int icomp(const void *p1, const void *p2)
-{
- atom_id *a1=(atom_id *)p1;
- atom_id *a2=(atom_id *)p2;
-
- return (*a1)-(*a2);
-}
-
int n_flexible_constraints(struct gmx_constr *constr)
{
int nflexcon;
case econqCoord:
csettle(constr->settled,
nsettle,settle->iatoms,x[0],xprime[0],
- invdt,v[0],vir!=NULL,rmdr,&error,&vetavar);
+ invdt,v?v[0]:NULL,vir!=NULL,rmdr,&error,&vetavar);
inc_nrnb(nrnb,eNR_SETTLE,nsettle);
if (v != NULL)
{