X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fnp%2Fsddir_verlet1.f;fp=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fnp%2Fsddir_verlet1.f;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=fc1e9aaa2d8c7ff548d3ecc56a59f7b2d406a190;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/unres/src_MD/md-diff/np/sddir_verlet1.f b/source/unres/src_MD/md-diff/np/sddir_verlet1.f
deleted file mode 100644
index fc1e9aa..0000000
--- a/source/unres/src_MD/md-diff/np/sddir_verlet1.f
+++ /dev/null
@@ -1,57 +0,0 @@
-c---------------------------------------------------------------------
-      subroutine sddir_verlet1
-c Applying velocity Verlet algorithm - step 1 to velocities        
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.CONTROL'
-      include 'COMMON.VAR'
-      include 'COMMON.MD'
-      include 'COMMON.LANGEVIN'
-      include 'COMMON.CHAIN'
-      include 'COMMON.DERIV'
-      include 'COMMON.GEO'
-      include 'COMMON.LOCAL'
-      include 'COMMON.INTERACT'
-      include 'COMMON.IOUNITS'
-      include 'COMMON.NAMES'
-c Revised 3/31/05 AL: correlation between random contributions to 
-c position and velocity increments included.
-      double precision sqrt13 /0.57735026918962576451d0/ ! 1/sqrt(3)
-      double precision adt,adt2
-c
-c Add the contribution from BOTH friction and stochastic force to the
-c coordinates, but ONLY the contribution from the friction forces to velocities
-c
-      do j=1,3
-        adt=(d_a_old(j,0)+d_af_work(j))*d_time
-        adt2=0.5d0*adt+sqrt13*d_as_work(j)*d_time
-        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)+0.5d0*adt
-        d_t(j,0)=d_t_old(j,0)+adt
-      enddo
-      ind=3
-      do i=nnt,nct-1	
-        do j=1,3    
-          adt=(d_a_old(j,i)+d_af_work(ind+j))*d_time
-          adt2=0.5d0*adt+sqrt13*d_as_work(ind+j)*d_time
-          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)+0.5d0*adt
-          d_t(j,i)=d_t_old(j,i)+adt
-        enddo
-        ind=ind+3
-      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_af_work(ind+j))*d_time
-            adt2=0.5d0*adt+sqrt13*d_as_work(ind+j)*d_time
-            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)+0.5d0*adt
-            d_t(j,inres)=d_t_old(j,inres)+adt
-          enddo
-          ind=ind+3
-        endif      
-      enddo 
-      return
-      end