Merge branch 'prerelease-3.2.1'

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

diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F
index 83d9588..fab67a1 100644 (file)
--- a/source/unres/src_MD-M/unres.F
+++ b/source/unres/src_MD-M/unres.F
@@ -258,6 +258,7 @@ crc overlap test
           time1=tcpu()
 #endif
           call minim_dc(etot,iretcode,nfun)
+          if(iretcode.eq.8) call check_ecartint
         else
           if (indpdb.ne.0) then 
             call bond_regular
@@ -407,7 +408,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.SBRIDGE'
       double precision varia(maxvar)
       dimension ind(6)
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
       logical eof
       eof=.false.
 #ifdef MPI
@@ -702,7 +703,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.MD'
       include 'COMMON.SBRIDGE'
       common /srutu/ icall
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
 c      do i=2,nres
 c        vbld(i)=vbld(i)+ran_number(-0.1d0,0.1d0)
 c        if (itype(i).ne.10) 
@@ -775,7 +776,7 @@ c---------------------------------------------------------------------------
       include 'DIMENSIONS'
       include 'COMMON.IOUNITS'
       include 'COMMON.CONTROL'
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
       call chainbuild
       call etotal(energy(0))
       call enerprint(energy(0))