X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fwham_calc1.F;fp=source%2Fwham%2Fsrc-M%2Fwham_calc1.F;h=2e432b776f23f9b3c2d283c17bbb4185af9ef8f2;hp=15d6716a051c997b7d10060e36198cb27c42554a;hb=9453fc761eb545fcb727824c94d012dbf3931951;hpb=6f521277aa2a382d409f5189957283b0998b0d07 diff --git a/source/wham/src-M/wham_calc1.F b/source/wham/src-M/wham_calc1.F index 15d6716..2e432b7 100644 --- a/source/wham/src-M/wham_calc1.F +++ b/source/wham/src-M/wham_calc1.F @@ -92,6 +92,7 @@ c parameter (MaxHdim=200000) character*2 licz2 character*3 licz3 character*128 nazwa + character*30 frm_write integer ilen external ilen @@ -1104,8 +1105,10 @@ c write (iout,*) "ftbis",ftbis write (iout,*) write (34,'(f7.1,2f15.5,$)') startGridT+i*delta_T, & sumW(i,iparm),sumE(i,iparm) - write (34,'(f10.5,$)') (sumQ(j,i,iparm),j=1,nQ+2) - write (34,'(e15.5,$)') sumEsq(i,iparm)-sumEbis(i,iparm), + write(frm_write,'( "(",i3,"e15.5,$)" )' ) nQ+2 + write (34,frm_write) (sumQ(j,i,iparm),j=1,nQ+2) + write(frm_write,'( "(",i3,"e15.5,$)" )' ) (nQ+2)*2+1 + write (34,frm_write) sumEsq(i,iparm)-sumEbis(i,iparm), & (sumQsq(j,i,iparm),j=1,nQ+2),(sumEQ(j,i,iparm),j=1,nQ+2) write (34,*) call flush(34)