! General MD parameters double precision v_ini,d_time,d_time0,t_bath,tau_bath, & dvmax,damax,edriftmax integer n_timestep,ntwx,ntwe,lang,count_reset_moment, & count_reset_vel,ntime_split,ntime_split0, & maxtime_split logical large,print_compon,tbf,rest,reset_moment,reset_vel, & rattle,mdpdb,RESPA,preminim common /mdpar/ v_ini,d_time,d_time0,t_bath, & tau_bath,dvmax,damax,n_timestep,mdpdb, & ntime_split,ntime_split0,maxtime_split, & ntwx,ntwe,lang,large,print_compon,tbf,rest,preminim, & reset_moment,reset_vel,count_reset_moment,count_reset_vel, & rattle,RESPA ! Basic quantities double precision EK,potE,potEcomp(0:n_ene+8),totE,totT,amax, & kinetic_T common /MDcalc/ totT,totE,potE,potEcomp,EK,amax,edriftmax, & kinetic_T ! Parameters of distributed calculations of accelerations from forces integer igmult_start,igmult_end,my_ng_count,ng_start,ng_counts, & nginv_start,nginv_counts,myginv_ng_count common /mdpmpi/ igmult_start,igmult_end,my_ng_count, & myginv_ng_count, & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1), & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1) ! Gradient components double precision gcart, gxcart, gradcag,gradxag common /mdgrad/ gcart(3,0:MAXRES), gxcart(3,0:MAXRES), & gradcag(3,MAXRES),gradxag(3,MAXRES)