small bugfix in readpdb
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Wed, 21 Nov 2018 12:21:03 +0000 (13:21 +0100)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Wed, 21 Nov 2018 12:21:03 +0000 (13:21 +0100)
source/unres/io_config.F90

index 5ddca11..3384326 100644 (file)
           endif
           do j=1,3
 !            c(j,1)=c(j,2)-1.9d0*e2(j)
-             c(j,i)=c(j,i-1)+1.9d0*(-e1(j)+e2(j))/sqrt(2.0d0)
+             c(j,1)=c(j,2)+1.9d0*(-e1(j)+e2(j))/sqrt(2.0d0)
           enddo
         else
         do j=1,3