start_from_models working with multichain

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index deef97c..aa1a6d3 100644 (file)
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1633,7 +1633,7 @@ c Removing the velocity of the center of mass
             enddo
           enddo
          endif
-         call chainbuild
+c         call chainbuild_cart
          write (iout,*) "PREMINIM ",preminim
          if(iranconf.ne.0 .or. preminim) then
           if (overlapsc) then 

diff --git a/source/unres/src_MD-M/readpdb.F b/source/unres/src_MD-M/readpdb.F
index de172bd..9a5f88e 100644 (file)
--- a/source/unres/src_MD-M/readpdb.F
+++ b/source/unres/src_MD-M/readpdb.F
@@ -1006,7 +1006,6 @@ c       write (iout,*) "spraw lancuchy",(c(j,i),j=1,3)
       endif
       endif
         do j=1,3
-          chomo(j,i,k)=c(j,i)
           cref(j,i,cou)=c(j,i)
           cref(j,i+nres,cou)=c(j,i+nres)
           if (i.le.nres) then
@@ -1015,6 +1014,12 @@ c       write (iout,*) "spraw lancuchy",(c(j,i),j=1,3)
           endif
         enddo
       enddo
+      do i=1,2*nres
+        do j=1,3
+          chomo(j,i,k)=c(j,i)
+        enddo
+      enddo
+
       write (iout,*) chain_length
       if (chain_length.eq.0) chain_length=nres
       do j=1,3