X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Frattle.F;h=b044396b5cfff3b0d0aafb48036faf3869bf16b6;hb=a30bd29e64da2aa47b84963fdd0bf4192ead2738;hp=5a8ed0c8871cefadad1c889d77d482539ab6422c;hpb=020e579626d686ec20ecd9f0cc4c8313f474e152;p=unres.git

diff --git a/source/unres/src-HCD-5D/rattle.F b/source/unres/src-HCD-5D/rattle.F
index 5a8ed0c..b044396 100644
--- a/source/unres/src-HCD-5D/rattle.F
+++ b/source/unres/src-HCD-5D/rattle.F
@@ -1,23 +1,32 @@
       subroutine rattle1
 c RATTLE algorithm for velocity Verlet - step 1, UNRES
 c AL 9/24/04
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
+      include 'COMMON.IOUNITS'
 #ifdef RATTLE
       include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+#ifdef FIVEDIAG
+       include 'COMMON.LAGRANGE.5diag'
+#else
+       include 'COMMON.LAGRANGE'
+#endif
 #ifndef LANG0
       include 'COMMON.LANGEVIN'
 #else
+#ifdef FIVEDIAG
+      include 'COMMON.LANGEVIN.lang0.5diag'
+#else
       include 'COMMON.LANGEVIN.lang0'
 #endif
+#endif
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
       include 'COMMON.GEO'
       include 'COMMON.LOCAL'
       include 'COMMON.INTERACT'
-      include 'COMMON.IOUNITS'
       include 'COMMON.NAMES'
       include 'COMMON.TIME1'
       double precision gginv(maxres2,maxres2),
@@ -275,17 +284,27 @@ c------------------------------------------------------------------------------
       subroutine rattle2
 c RATTLE algorithm for velocity Verlet - step 2, UNRES
 c AL 9/24/04
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
+      include 'COMMON.IOUNITS'
 #ifdef RATTLE
       include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+#ifdef FIVEDIAG
+       include 'COMMON.LAGRANGE.5diag'
+#else
+       include 'COMMON.LAGRANGE'
+#endif
 #ifndef LANG0
       include 'COMMON.LANGEVIN'
 #else
+#ifdef FIVEDIAG
+      include 'COMMON.LANGEVIN.lang0.5diag'
+#else
       include 'COMMON.LANGEVIN.lang0'
 #endif
+#endif
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
       include 'COMMON.GEO'
@@ -458,11 +477,20 @@ c AL 9/24/04
       include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+#ifdef FIVEDIAG
+       include 'COMMON.LAGRANGE.5diag'
+#else
+       include 'COMMON.LAGRANGE'
+#endif
 #ifndef LANG0
       include 'COMMON.LANGEVIN'
 #else
+#ifdef FIVEDIAG
+      include 'COMMON.LANGEVIN.lang0.5diag'
+#else
       include 'COMMON.LANGEVIN.lang0'
 #endif
+#endif
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
       include 'COMMON.GEO'