minimize the system &cntrl imin=1, maxcyc=5000, ncyc=2500, cut=9.0, ntb=1, ntc=1, ntf=1, ntpr=10, ntr=1, restraintmask=':1-768', restraint_wt=2.0, ifqnt=1 / &qmmm iqmatoms=3308,3309,3310,3311,3312,3313,3314,3315,3316,3317,11973,11974,11975,11976,11977,11978,11979,11980,11981,11982,11983,11984,11985,11986,11987,11988,11989,11990,11991,11992,11993,11994,11995,11996,11997,11998,11999,12000,12001,12002,12003,12004,12005,12006,12007,12008,12009,12010,12011,12012, qmcharge=-1, qmtheory=1, qmshake=0, qm_ewald=1, qm_pme=1, writepdb=1 /