X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fparmread.F;h=cd2bce9151a71618fbbe5e00ff233d74c2b18a7a;hb=6c42068549f52858c8cf4f48449f03045ba09c6c;hp=097e1f7dbd9212b765113ec51d20c5dba4a53e97;hpb=da2d818fafa08553758db5b914251903045f37d3;p=unres.git diff --git a/source/wham/src-M/parmread.F b/source/wham/src-M/parmread.F index 097e1f7..cd2bce9 100644 --- a/source/wham/src-M/parmread.F +++ b/source/wham/src-M/parmread.F @@ -1112,7 +1112,8 @@ C---------------------- GB or BP potential ----------------------------- read (isidep,*)(alp(i),i=1,ntyp) do i=1,ntyp read (isidep,*)(epslip(i,j),j=i,ntyp) -C print *,"WARNING!!" +C write(iout,*) "WARNING!!",i,ntyp + write(iout,*) "epslip", i, (epslip(i,j),j=i,ntyp) C do j=1,ntyp C epslip(i,j)=epslip(i,j)+0.05d0 C enddo @@ -1227,7 +1228,7 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) endif if (lprint) then write (iout,'(2(a3,2x),3(1pe10.3),5(0pf8.3))') - & restyp(i),restyp(j),aa(i,j),bb(i,j),augm(i,j), + & restyp(i),restyp(j),aa_aq(i,j),bb_aq(i,j),augm(i,j), & sigma(i,j),r0(i,j),chi(i,j),chi(j,i) endif enddo