X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fint_to_cart.f;h=bf259c81bae986158f3dd8075fb1095df4485d11;hb=35722ad08790899fcd341510f77a1b8f39110b2b;hp=d5ea38a13df3387fe7988eee4a1fe9928e91e7a6;hpb=820f293760806cf45f8368b0e23dfcdc3e7b992e;p=unres.git diff --git a/source/unres/src-HCD-5D/int_to_cart.f b/source/unres/src-HCD-5D/int_to_cart.f index d5ea38a..bf259c8 100644 --- a/source/unres/src-HCD-5D/int_to_cart.f +++ b/source/unres/src-HCD-5D/int_to_cart.f @@ -3,7 +3,7 @@ c-------------------------------------------------------------- c This subroutine converts the energy derivatives from internal c coordinates to cartesian coordinates c------------------------------------------------------------- - implicit real*8 (a-h,o-z) + implicit none include 'DIMENSIONS' include 'COMMON.VAR' include 'COMMON.CHAIN' @@ -15,6 +15,7 @@ c------------------------------------------------------------- include 'COMMON.IOUNITS' include 'COMMON.SCCOR' include 'COMMON.CONTROL' + integer i,j c calculating dE/ddc1 C print *,"wchodze22",ialph(2,1) if (nres.lt.3) go to 18