X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-SAXS-homology%2Fcheckder_p.F;h=03df2873a60242ba63ae1f35ec0238674a1940de;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=0a0c1c6b55ef6b515ea0e26b0a066480783a6c3f;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD-M-SAXS-homology/checkder_p.F b/source/unres/src_MD-M-SAXS-homology/checkder_p.F index 0a0c1c6..03df287 100644 --- a/source/unres/src_MD-M-SAXS-homology/checkder_p.F +++ b/source/unres/src_MD-M-SAXS-homology/checkder_p.F @@ -297,12 +297,11 @@ c aincr=1.0D-7 call etotal(energia(0)) etot=energia(0) call enerprint(energia(0)) - call flush(iout) c write (iout,*) "enter cartgrad" - call flush(iout) +c call flush(iout) call cartgrad c write (iout,*) "exit cartgrad" - call flush(iout) +c call flush(iout) icall =1 write (iout,'(//27(1h*)," Checking energy gradient ",27(1h*))') write (iout,'(//4x,3a12,3x,3a12)')"gcart_x","gcart_y","gcart_z",