X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=aa1a6d3879048bee17fd95d0e90c16042bc46bcd;hb=ed4fb866872e888d13720659f0348931479ebd0a;hp=7a9e307844707fcc494f3d081d9b06dc8608c5dc;hpb=a98a68c0836554d1d129b14ebccbbea7214c7c2f;p=unres.git

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index 7a9e307..aa1a6d3 100644
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1609,7 +1609,31 @@ c Removing the velocity of the center of mass
        write (iout,*) (vcm(j),j=1,3) 
       endif
       if (.not.rest) then	  	
-         call chainbuild
+         if (start_from_model) then
+          i_model=iran_num(1,constr_homology)
+          write (iout,*) 'starting from model ',i_model
+          do i=1,2*nres
+           do j=1,3
+            c(j,i)=chomo(j,i,i_model)
+           enddo
+          enddo
+
+          call int_from_cart(.true.,.false.)
+          call sc_loc_geom(.false.)
+          do i=1,nres-1
+            do j=1,3
+             dc(j,i)=c(j,i+1)-c(j,i)
+             dc_norm(j,i)=dc(j,i)*vbld_inv(i+1)
+            enddo
+          enddo
+          do i=2,nres-1
+            do j=1,3
+             dc(j,i+nres)=c(j,i+nres)-c(j,i)
+             dc_norm(j,i+nres)=dc(j,i+nres)*vbld_inv(i+nres)
+            enddo
+          enddo
+         endif
+c         call chainbuild_cart
          write (iout,*) "PREMINIM ",preminim
          if(iranconf.ne.0 .or. preminim) then
           if (overlapsc) then