include 'COMMON.SBRIDGE'
include 'COMMON.DISTFIT'
include 'COMMON.MD'
- character*50 tytul
+ character*(*) tytul
dimension ica(maxres)
write (iunit,'(3a,1pe15.5)') 'REMARK ',tytul,' ENERGY ',etot
cmodel write (iunit,'(a5,i6)') 'MODEL',1
include 'COMMON.DISTFIT'
include 'COMMON.MD'
double precision time
+ write (iout,*) "cartout: cartname ",cartname
#if defined(AIX) || defined(PGI)
open(icart,file=cartname,position="append")
#else
& (utheta(i),ugamma(i),uscdiff(i),i=1,nfrag_back)
write(format2,'(a1,i3.3)') "a",23+7*nfrag+7*npair
& +21*nfrag_back
- elseif(hremd.gt.0) then
+ elseif(hremd.gt.0.or.homol_nset.gt.1) then
write(line2,'(i5)') iset
format2="a005"
else
if (print_compon) then
if(itime.eq.0) then
write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2,
- & ",20a12)"
+ & ",100a12)"
write (istat,format) "#","",
& (ename(print_order(i)),i=1,nprint_ene)
endif
write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2,
- & ",20f12.3)"
+ & ",100f12.3)"
write (istat,format) line1,line2,
& (potEcomp(print_order(i)),i=1,nprint_ene)
else