X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fio_config.F90;fp=source%2Funres%2Fio_config.F90;h=052bde48dd880618d8270a7b67eb6def3f304e80;hb=f458de69c692cc132fdb9adfa1a130fc33b35782;hp=61cb7b474b80e9ffbc68a6808efb912211efd6dc;hpb=1d7c7ce298528a7de69c6dced5a52e9780c9ce12;p=unres4.git

diff --git a/source/unres/io_config.F90 b/source/unres/io_config.F90
index 61cb7b4..052bde4 100644
--- a/source/unres/io_config.F90
+++ b/source/unres/io_config.F90
@@ -3316,6 +3316,8 @@
        (wqdipcat(k,i,j),k=1,2), &
        alphapolcat(i,j),alphapolcat(j,i), &
        (alphisocat(k,i,j),k=1,4),sigiso1cat(i,j),sigiso2cat(i,j),epsintabcat(i,j),debaykapcat(i,j)
+
+       if (chi1cat(i,j).gt.0.9) write (*,*) "WTF ANISO", i,j, chi1cat(i,j)
 !       print *,eps(i,j),sigma(i,j),"SIGMAP",i,j,sigmap1(i,j),sigmap2(j,i) 
 !     if (i.eq.1) then
 !     write (iout,*) 'i= ', i, ' j= ', j
@@ -4764,6 +4766,7 @@
       print_compon = index(controlcard,"PRINT_COMPON").gt.0
       rattle = index(controlcard,"RATTLE").gt.0
       preminim=(index(controlcard,'PREMINIM').gt.0)
+      forceminim=(index(controlcard,'FORCEMINIM').gt.0)
       write (iout,*) "PREMINIM ",preminim
       dccart=(index(controlcard,'CART').gt.0)
       if (preminim) call read_minim