typedef struct {
real fc; /* Force constant for the restraints */
real edt; /* Multiplication factor for time averaging */
- real edt1; /* 1 - edt */
+ real edt_1; /* 1 - edt */
real exp_min_t_tau; /* Factor for slowly switching on the force */
int nr; /* The number of orientation restraints */
int nex; /* The number of experiments */
{
od->Dtav = od->Dins;
od->edt = 0.0;
- od->edt1 = 1.0;
+ od->edt_1= 1.0;
}
else
{
snew(od->Dtav,od->nr);
od->edt = exp(-ir->delta_t/ir->orires_tau);
- od->edt1 = 1.0 - od->edt;
+ od->edt_1= 1.0 - od->edt;
/* Extend the state with the orires history */
state->flags |= (1<<estORIRE_INITF);
t_fcdata *fcd,history_t *hist)
{
int fa,d,i,j,type,ex,nref;
- real edt,edt1,invn,pfac,r2,invr,corrfac,weight,wsv2,sw,dev;
+ real edt,edt_1,invn,pfac,r2,invr,corrfac,weight,wsv2,sw,dev;
tensor *S,R,TMP;
rvec5 *Dinsl,*Dins,*Dtav,*rhs;
real *mref,***T;
bTAV = (od->edt != 0);
edt = od->edt;
- edt1 = od->edt1;
+ edt_1= od->edt_1;
S = od->S;
Dinsl= od->Dinsl;
Dins = od->Dins;
*/
for(i=0; i<5; i++)
{
- Dtav[d][i] = edt*hist->orire_Dtav[d*5+i] + edt1*Dins[d][i];
+ Dtav[d][i] = edt*hist->orire_Dtav[d*5+i] + edt_1*Dins[d][i];
}
}