X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadpdb.F;h=48bb75a45906261853c05813edb5c2df3f36050e;hb=d6044e422fadc338f33bb4111e4f18f00f7c7a37;hp=3caff57720b1a5aae3dcf2cc4125013549aaf5a3;hpb=d101c97dea752458d76055fdbae49c26fff03c1f;p=unres.git diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F index 3caff57..48bb75a 100644 --- a/source/unres/src_MD-M/readpdb.F +++ b/source/unres/src_MD-M/readpdb.F @@ -17,7 +17,7 @@ C geometry. character*80 card dimension sccor(3,20) double precision e1(3),e2(3),e3(3) - integer rescode,iterter(maxres) + integer rescode,iterter(maxres),cou logical fail do i=1,maxres iterter(i)=0 @@ -310,7 +310,9 @@ c enddo c enddiagnostic C makes copy of chains write (iout,*) "symetr", symetr - + do j=1,3 + dc(j,0)=c(j,1) + enddo if (symetr.gt.1) then call permut(symetr) nperm=1