Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD / src / md-diff / md / verlet1.f

diff --git a/source/unres/src_MD/src/md-diff/md/verlet1.f b/source/unres/src_MD/src/md-diff/md/verlet1.f
deleted file mode 100644 (file)
index 1dd8f22..0000000
--- a/source/unres/src_MD/src/md-diff/md/verlet1.f
+++ /dev/null
@@ -1,47 +0,0 @@
-c-----------------------------------------------------------------
-      subroutine verlet1
-c Applying velocity Verlet algorithm - step 1 to coordinates
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.CONTROL'
-      include 'COMMON.VAR'
-      include 'COMMON.MD'
-      include 'COMMON.CHAIN'
-      include 'COMMON.DERIV'
-      include 'COMMON.GEO'
-      include 'COMMON.LOCAL'
-      include 'COMMON.INTERACT'
-      include 'COMMON.IOUNITS'
-      include 'COMMON.NAMES'
-      double precision adt,adt2
-        
-      do j=1,3
-        adt=d_a_old(j,0)*d_time
-        adt2=0.5d0*adt
-        dc(j,0)=dc_old(j,0)+(d_t_old(j,0)+adt2)*d_time
-        d_t_new(j,0)=d_t_old(j,0)+adt2
-        d_t(j,0)=d_t_old(j,0)+adt
-      enddo
-      do i=nnt,nct-1   
-        do j=1,3    
-          adt=d_a_old(j,i)*d_time
-          adt2=0.5d0*adt
-          dc(j,i)=dc_old(j,i)+(d_t_old(j,i)+adt2)*d_time
-          d_t_new(j,i)=d_t_old(j,i)+adt2
-          d_t(j,i)=d_t_old(j,i)+adt
-        enddo
-      enddo
-      do i=nnt,nct
-        if (itype(i).ne.10) then
-          inres=i+nres
-          do j=1,3    
-            adt=d_a_old(j,inres)*d_time
-            adt2=0.5d0*adt
-            dc(j,inres)=dc_old(j,inres)+(d_t_old(j,inres)+adt2)*d_time
-            d_t_new(j,inres)=d_t_old(j,inres)+adt2
-            d_t(j,inres)=d_t_old(j,inres)+adt
-          enddo
-        endif      
-      enddo 
-      return
-      end