************ fit.in içine şu ikisi eklendi:************************
OPTIMIZATIONS=1000
WRITE_FRCMOD=fitted_params.frcmod
********************
fit2.out:

(H -O -B -O )*Kp =  -0.9197 kcal/mol, *Np = 1.5965, *Phase = 291.2990 Deg
(H -O -B -O )*Kp =   1.8801 kcal/mol, *Np = -2.8006, *Phase =  91.7699 Deg
***************************************************************************

Generated frcmod with paramfit for a.prmtop


DIHE
H -O -B -O     1        -0.9197       291.2990        -1.5965
H -O -B -O     1         1.8801        91.7699        -2.8006
***********************************************************************************

paramfit -i job_fit.in -p a.prmtop -c A_valid_structures.mdcrd -q quantum_A.dat > fit_2.out

**********************************
FAZLALIK MOL2 DOSYALARINI SİLMEK İÇİNŞUNU YAPTIK:

rm -r -f  *_00*.mol2
**************************************************************************************************