X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Finitialize_p.F;h=11a8267718aceb5d089571067253d0cfe1b467b2;hb=61fae8832983d4a71eb8efc042d3e0ba5087740c;hp=d789d82bad545581e2937384e11f45793c1df055;hpb=971fdfc78bace0d56dd440cf9501ab2eb25a1dcf;p=unres.git

diff --git a/source/unres/src_MD-M/initialize_p.F b/source/unres/src_MD-M/initialize_p.F
index d789d82..11a8267 100644
--- a/source/unres/src_MD-M/initialize_p.F
+++ b/source/unres/src_MD-M/initialize_p.F
@@ -1526,3 +1526,25 @@ cd     &   " lim_dih",lim_dih
 #endif
       return
       end
+c------------------------------------------------------------------------------
+      subroutine NMRpeak_partition
+      implicit real*8 (a-h,o-z)
+      include 'DIMENSIONS'
+#ifdef MPI
+      include 'mpif.h'
+#endif
+      include 'COMMON.SBRIDGE'
+      include 'COMMON.IOUNITS'
+      include 'COMMON.SETUP'
+#ifdef MPI
+      call int_bounds(npeak,link_start_peak,link_end_peak)
+      write (iout,*) 'Processor',fg_rank,' CG group',kolor,
+     &  ' absolute rank',MyRank,
+     &  ' npeak',npeak,' link_start_peak=',link_start_peak,
+     &  ' link_end_peak',link_end_peak
+#else
+      link_start_peak=1
+      link_end_peak=npeak
+#endif
+      return
+      end