X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;fp=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=dc040cb3d10950b976f7dac5b67026dfe72732d3;hp=78d0afb903641d0f599ba1ffbcfa93016b0fbb72;hb=7d64cc3ff0edffb6aa37e309e4375f58bd5875a2;hpb=9a26354af2c68a12347d7f85ad158e3ba22fdd7d diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index 78d0afb..dc040cb 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -1038,22 +1038,26 @@ C write (iout,*) 'Type',i write (iout,'(a,i2,a,f10.5)') ('b(',ii,')=',b(ii,i),ii=1,13) endif -c B1(1,i) = b(3) -c B1(2,i) = b(5) -c B1(1,-i) = b(3) -c B1(2,-i) = -b(5) + b(3,-i)= b(3,i) + b(5,-i)=-b(5,i) + b(4,-i)=-b(4,i) + b(2,-i)= b(2,i) + B1(1,i) = b(3,i) + B1(2,i) = b(5,i) + B1(1,-i) = b(3,i) + B1(2,-i) = -b(5,i) c b1(1,i)=0.0d0 c b1(2,i)=0.0d0 -c B1tilde(1,i) = b(3) -c B1tilde(2,i) =-b(5) -c B1tilde(1,-i) =-b(3) -c B1tilde(2,-i) =b(5) + B1tilde(1,i) = b(3,i) + B1tilde(2,i) =-b(5,i) + B1tilde(1,-i) =-b(3,i) + B1tilde(2,-i) =b(5,i) c b1tilde(1,i)=0.0d0 c b1tilde(2,i)=0.0d0 -c B2(1,i) = b(2) -c B2(2,i) = b(4) -c B2(1,-i) =b(2) -c B2(2,-i) =-b(4) + B2(1,i) = b(2,i) + B2(2,i) = b(4,i) + B2(1,-i) =b(2,i) + B2(2,-i) =-b(4,i) cc B1tilde(1,i) = b(3,i) cc B1tilde(2,i) =-b(5,i) C B1tilde(1,-i) =-b(3,i)