Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD / md-diff / np / sddir_verlet2.f

diff --git a/source/unres/src_MD/md-diff/np/sddir_verlet2.f b/source/unres/src_MD/md-diff/np/sddir_verlet2.f
deleted file mode 100644 (file)
index a0844a7..0000000
--- a/source/unres/src_MD/md-diff/np/sddir_verlet2.f
+++ /dev/null
@@ -1,65 +0,0 @@
-c---------------------------------------------------------------------
-      subroutine sddir_verlet2
-c  Calculating the adjusted velocities for accelerations
-      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'
-      double precision stochforcvec(MAXRES6),d_as_work1(MAXRES6)
-      double precision cos60 /0.5d0/, sin60 /0.86602540378443864676d0/
-c Revised 3/31/05 AL: correlation between random contributions to 
-c position and velocity increments included.
-c The correlation coefficients are calculated at low-friction limit.
-c Also, friction forces are now not calculated with new velocities.
-
-c      call friction_force
-      call stochastic_force(stochforcvec) 
-c
-c Compute the acceleration due to friction forces (d_af_work) and stochastic
-c forces (d_as_work)
-c
-      do i=1,dimen
-c        d_af_work(i)=0.0d0
-        d_as_work1(i)=0.0d0
-        do j=1,dimen
-c          d_af_work(i)=d_af_work(i)+Ginv(i,j)*fric_work(j)
-          d_as_work1(i)=d_as_work1(i)+Ginv(i,j)*stochforcvec(j)
-        enddo
-      enddo
-c
-c Update velocities
-c
-      do j=1,3
-        d_t(j,0)=d_t_new(j,0)+(0.5d0*(d_a(j,0)+d_af_work(j))
-     &    +sin60*d_as_work(j)+cos60*d_as_work1(j))*d_time
-      enddo
-      ind=3
-      do i=nnt,nct-1
-        do j=1,3
-          d_t(j,i)=d_t_new(j,i)+(0.5d0*(d_a(j,i)+d_af_work(ind+j))
-     &     +sin60*d_as_work(ind+j)+cos60*d_as_work1(ind+j))*d_time
-        enddo
-        ind=ind+3
-      enddo
-      do i=nnt,nct
-        if (itype(i).ne.10) then
-          inres=i+nres
-          do j=1,3
-            d_t(j,inres)=d_t_new(j,inres)+(0.5d0*(d_a(j,inres)
-     &       +d_af_work(ind+j))+sin60*d_as_work(ind+j)
-     &       +cos60*d_as_work1(ind+j))*d_time
-          enddo
-          ind=ind+3
-        endif
-      enddo 
-      return
-      end