2 real prec,time,potE,uconst,t_bath,qfrag(100)
3 integer ihpb(100),jhpb(100)
4 character*80 arg,ctime_start /"0"/,ctime_end /"1000000000"/,
6 integer*4 time_start,time_end,freq
7 c real time_start,time_end,freq
10 if (iargc().eq.0) stop
11 if (iargc().gt.1) then
12 call getarg(2,ctime_start)
13 read (ctime_start,*) time_start
17 if (iargc().gt.2) then
18 call getarg(3,ctime_end)
19 read (ctime_end,*) time_end
23 if (iargc().gt.3) then
30 call xdrfopen(ixdrf,arg, "r", iret)
34 call xdrffloat(ixdrf, time, iret)
35 print *,"time",time," iret",iret
38 call xdrffloat(ixdrf, potE, iret)
39 call xdrffloat(ixdrf, uconst, iret)
40 print *,"potE",potE," uconst",uconst
42 call xdrffloat(ixdrf, uconst_back, iret)
44 c print *,"uconst_back",uconst_back
45 call xdrffloat(ixdrf, t_bath, iret)
46 print *,"t_bath",t_bath
47 call xdrfint(ixdrf, nss, iret)
49 call xdrfint(ixdrf, ihpb(j), iret)
50 call xdrfint(ixdrf, jhpb(j), iret)
52 print *,"nss",nss,(ihpb(j),jhpb(j),j=1,nss)
53 call xdrfint(ixdrf, nfrag, iret)
54 call xdrfint(ixdrf, iset, iret)
55 print *,"nfrag",nfrag,"iset",iset
57 call xdrffloat(ixdrf, qfrag(i), iret)
62 call xdrf3dfcoord(ixdrf, coord, isize, prec, iret)
64 print *,"isize",isize,"iret",iret
66 print *,licz,time_start,time_end,freq,mod(licz,freq)
67 if (licz.gt.time_end) exit
68 if (licz.ge.time_start .and. mod(licz,freq).eq.0) then
69 write (*,'(e15.8,2e15.5,f12.5,$)') time,potE,uconst,t_bath
70 write (*,'(i4,$)') nss,(ihpb(j),jhpb(j),j=1,nss)
71 write (*,'(i4,20f7.4)') nfrag,(qfrag(i),i=1,nfrag)
72 write (*,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize)