First trial to introduce steered MD non successful

[unres.git] / source / unres / src_MD-M / energy_p_new_barrier.F

diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F
index bfb0b65..2bd6f22 100644 (file)
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -10273,39 +10273,3 @@ C AFM soubroutine for constant force
 C      print *,'AFM',Eafmforce
       return
       end
-C AFM soubroutine for constant velocity
-       subroutine AFMvel(Eafmforce)
-       implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.GEO'
-      include 'COMMON.VAR'
-      include 'COMMON.LOCAL'
-      include 'COMMON.CHAIN'
-      include 'COMMON.DERIV'
-      include 'COMMON.NAMES'
-      include 'COMMON.INTERACT'
-      include 'COMMON.IOUNITS'
-      include 'COMMON.CALC'
-      include 'COMMON.CONTROL'
-      include 'COMMON.SPLITELE'
-      include 'COMMON.SBRIDGE'
-      include 'COMMON.MD'
-      real*8 diffafm(3)
-      dist=0.0d0
-      Eafmforce=0.0d0
-      do i=1,3
-      diffafm(i)=c(i,afmend)-c(i,afmbeg)
-      dist=dist+diffafm(i)**2
-      enddo
-      dist=dsqrt(dist)
-      Eafmforce=-(dist-distafminit)
-      do i=1,3
-      gradafm(i,afmend-1)=-(velconst*diffafm(i)/dist-d_t(i,afmend-1))
-     & /d_time
-      gradafm(i,afmbeg-1)=(velconst*diffafm(i)/dist-d_t(i,afmbeg-1))
-     & /d_time
-      enddo
-C      print *,'AFM',Eafmforce
-      return
-      end
-