Merge branch 'devel' into feature-ga

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

diff --git a/source/unres/src_MD/src/md-diff/md/random_vel.f b/source/unres/src_MD/src/md-diff/md/random_vel.f
deleted file mode 100644 (file)
index 28dba88..0000000
--- a/source/unres/src_MD/src/md-diff/md/random_vel.f
+++ /dev/null
@@ -1,62 +0,0 @@
-c-----------------------------------------------------------
-      subroutine random_vel
-      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'
-      include 'COMMON.TIME1'
-      double precision xv,sigv,lowb,highb
-c Generate random velocities from Gaussian distribution of mean 0 and std of KT/m 
-c First generate velocities in the eigenspace of the G matrix
-c      write (iout,*) "Calling random_vel"
-      xv=0.0d0
-      do i=1,dimen
-        sigv=dsqrt((Rb*t_bath)/geigen(i))
-        lowb=-5*sigv
-        highb=5*sigv
-        d_t_work_new(i)=anorm_distr(xv,sigv,lowb,highb)
-      enddo
-c      Ek1=0.0d0
-c      do i=1,dimen
-c        Ek1=Ek1+0.5d0*geigen(i)*d_t_work_new(i)**2
-c      enddo
-c Transform velocities to UNRES coordinate space
-      do i=1,dimen
-        d_t_work(i)=0.0d0
-        do j=1,dimen
-          d_t_work(i)=d_t_work(i)+Gvec(i,j)*d_t_work_new(j)
-        enddo
-      enddo
-c Transfer to the d_t vector
-      do j=1,3
-        d_t(j,0)=d_t_work(j)
-      enddo 
-      ind=3
-      do i=nnt,nct-1
-        do j=1,3 
-          ind=ind+1
-          d_t(j,i)=d_t_work(ind)
-        enddo
-      enddo
-      do i=nnt,nct
-        if (itype(i).ne.10) then
-          do j=1,3
-            ind=ind+1
-            d_t(j,i+nres)=d_t_work(ind)
-          enddo
-        endif
-      enddo
-c      call kinetic(EK)
-c      write (iout,*) "Kinetic energy",Ek,EK1," kinetic temperature",
-c     &  2.0d0/(dimen*Rb)*EK,2.0d0/(dimen*Rb)*EK1
-      return
-      end