mremd with homology constrains can start each replica from random model

[unres.git] / source / unres / src_MD / readrtns.F

diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F
index 74ba3d8..915e5f2 100644 (file)
--- a/source/unres/src_MD/readrtns.F
+++ b/source/unres/src_MD/readrtns.F
@@ -2761,6 +2761,16 @@ c Alternative: reading from input
  
       call readi(controlcard,"HOMOL_NSET",homol_nset,1)       
       read2sigma=(index(controlcard,'READ2SIGMA').gt.0)
+      start_from_model=(index(controlcard,'START_FROM_MODELS').gt.0)
+      if(.not.read2sigma.and.start_from_model) then
+          write(iout,*) 'START_FROM_MODELS works only with READ2SIGMA'
+          start_from_model=.false.
+      endif
+      if(start_from_model) write(iout,*) 'START_FROM_MODELS is ON'
+      if(start_from_model .and. rest) then 
+        write(iout,*) 'START_FROM_MODELS is OFF'
+        write(iout,*) 'remove restart keyword from input'
+      endif
       if (homol_nset.gt.1)then
          call card_concat(controlcard)
          read(controlcard,*) (waga_homology(i),i=1,homol_nset)