update

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

diff --git a/source/unres/src_MD-M/entmcm.F b/source/unres/src_MD-M/entmcm.F
index 14576d5..e912ec5 100644 (file)
--- a/source/unres/src_MD-M/entmcm.F
+++ b/source/unres/src_MD-M/entmcm.F
@@ -95,7 +95,9 @@ C----------------------------------------------------------------------------
 C Print internal coordinates of the initial conformation
         call intout
       else
-        call gen_rand_conf(1,*20)
+        jeden=1
+        nrestmp=nres
+        call gen_rand_conf(jeden,nrestmp,*20)
       endif
 C----------------------------------------------------------------------------
 C Compute and print initial energies.
@@ -263,7 +265,8 @@ C Decide whether to generate a random conformation or perturb the old one
             if (print_mc.gt.0) 
      &        write (iout,'(2a,i3)') 'Random-generated conformation',
      &        ' - chain regrown from residue',nstart_grow
-            call gen_rand_conf(nstart_grow,*30)
+            nrestmp=nres
+            call gen_rand_conf(nstart_grow,nrestmp,*30)
           endif
           call geom_to_var(nvar,varia)
 cd        write (iout,'(a)') 'New variables:'
@@ -321,7 +324,7 @@ C--------------------------------------------------------------------------
               endif
 C Check against conformation repetitions.
               irep=conf_comp(varia,etot)
-#if defined(AIX) || defined(PGI)
+#if defined(AIX) || defined(PGI) || defined(CRAY)
               open (istat,file=statname,position='append')
 #else
               open (istat,file=statname,access='append')