X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fmd%2Fverlet_bath.f;fp=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fmd%2Fverlet_bath.f;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=93c4166e429914e9030af0c8e908f1e3473b6b23;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/unres/src_MD/md-diff/md/verlet_bath.f b/source/unres/src_MD/md-diff/md/verlet_bath.f
deleted file mode 100644
index 93c4166..0000000
--- a/source/unres/src_MD/md-diff/md/verlet_bath.f
+++ /dev/null
@@ -1,42 +0,0 @@
-c-----------------------------------------------------------------------
-      subroutine verlet_bath
-c
-c  Coupling to the thermostat by using the Berendsen algorithm
-c
-      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 T_half,fact
-c 
-      T_half=2.0d0/(dimen*Rb)*EK
-      fact=dsqrt(1.0d0+(d_time/tau_bath)*(t_bath/T_half-1.0d0))
-c      write(iout,*) "T_half", T_half
-c      write(iout,*) "EK", EK
-c      write(iout,*) "fact", fact				
-      do j=1,3
-        d_t(j,0)=fact*d_t(j,0)
-      enddo
-      do i=nnt,nct-1
-        do j=1,3
-          d_t(j,i)=fact*d_t(j,i)
-        enddo
-      enddo
-      do i=nnt,nct
-        if (itype(i).ne.10) then
-          inres=i+nres
-          do j=1,3
-            d_t(j,inres)=fact*d_t(j,inres)
-          enddo
-        endif
-      enddo 
-      return
-      end