From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Thu, 10 Mar 2016 17:14:51 +0000 (+0100)
Subject: corrections to unres src_MIN
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=1f539ee3073db0c5eb38f13cc6ff505b9010f55d

corrections to unres src_MIN
---

diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
index fadf127..88d9318 100644
--- a/source/unres/src_MIN/CMakeLists.txt
+++ b/source/unres/src_MIN/CMakeLists.txt
@@ -75,7 +75,7 @@ set(UNRES_MIN_PP_SRC
 	energy_split-sep.F 
 	entmcm.F 
 	gen_rand_conf.F
-	geomout.F 
+	geomout_min.F 
 	gradient_p.F 
 	intcor.f
 	initialize_p.F 
diff --git a/source/unres/src_MIN/minimize_p.F b/source/unres/src_MIN/minimize_p.F
index 72190e8..2fa0ec8 100644
--- a/source/unres/src_MIN/minimize_p.F
+++ b/source/unres/src_MIN/minimize_p.F
@@ -89,8 +89,8 @@ cd    print *,'Calling SUMSL'
       etot=v(10)                                                      
       iretcode=iv(1)
 cd    print *,'Exit SUMSL; return code:',iretcode,' energy:',etot
-      write (iout,'(/a,i4,a,f15.5/)') 'SUMSL return code:',iv(1),
-     &   " energy",etot
+cd    write (iout,'(/a,i4,a,f15.5/)') 'SUMSL return code:',iv(1),
+cd     &   " energy",etot
       call var_to_geom(nvar,x)
 c      call chainbuild
 c      call etotal(energia(0))