X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-NEWSC-NEWCORR%2Fparmread.F;h=43a24b8a4e1f2420d1b8e74527b32a236af8d079;hb=5467f8060e885151d3415a9897913776c337d88a;hp=ba6ec3e7c323f460cc93bd5157fa907904ad22ba;hpb=4d3fd4762ad7bfc6b3fdd9915befe7ea8da7f2e0;p=unres.git diff --git a/source/wham/src-NEWSC-NEWCORR/parmread.F b/source/wham/src-NEWSC-NEWCORR/parmread.F index ba6ec3e..43a24b8 100644 --- a/source/wham/src-NEWSC-NEWCORR/parmread.F +++ b/source/wham/src-NEWSC-NEWCORR/parmread.F @@ -694,10 +694,10 @@ C EEold(2,2,i)=-b(10,i)+b(11,i) EEold(2,1,i)= b(12,i)-b(13,i) EEold(1,2,i)= b(12,i)+b(13,i) - EEold(1,1,-i)= b(10,i)+b(11,i) - EEold(2,2,-i)=-b(10,i)+b(11,i) - EEold(2,1,-i)=-b(12,i)+b(13,i) - EEold(1,2,-i)=-b(12,i)-b(13,i) +c EEold(1,1,-i)= b(10,i)+b(11,i) +c EEold(2,2,-i)=-b(10,i)+b(11,i) +c EEold(2,1,-i)=-b(12,i)+b(13,i) +c EEold(1,2,-i)=-b(12,i)-b(13,i) #else EE(1,1,i)= b(10,i)+b(11,i) EE(2,2,i)=-b(10,i)+b(11,i)