X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Ffitsq.f;h=204007482586787fa86be9264575273b42a5f9d8;hb=88af2feafd40050318384e0a14aac77a4f9fffa4;hp=1c97e6dc2a956ac4db4cd0be9ce7410bdc6046fb;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/fitsq.f b/source/unres/src_MD-M/fitsq.f index 1c97e6d..2040074 100644 --- a/source/unres/src_MD-M/fitsq.f +++ b/source/unres/src_MD-M/fitsq.f @@ -44,11 +44,11 @@ c enddo enddo rms=dabs(rms/fn) - + c write(iout,*)'xav = ',(xav(j),j=1,3) c write(iout,*)'yav = ',(yav(j),j=1,3) c write(iout,*)'t = ',(t(j),j=1,3) -c write(iout,*)'rms=',rms + write(iout,*)'rms=',rms if (rms.lt.small) return