X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fmd_calc.f90;h=8b8e04d3783c57b6f2aee4f3533713b82ff3d9d9;hb=bbbdc8e18680625d3004f414aec255e9ca7b7353;hp=50f23d700dc9c67d017845a0d93877bd0883cf8c;hpb=7c0faf2ccb6f94ed9a77aa527d3885ba054d3fb2;p=unres4.git

diff --git a/source/unres/md_calc.f90 b/source/unres/md_calc.f90
index 50f23d7..8b8e04d 100644
--- a/source/unres/md_calc.f90
+++ b/source/unres/md_calc.f90
@@ -2213,7 +2213,7 @@
       Q = 0
 !     ********** ESTABLISH AND PROCESS NEXT SUBMATRIX **********
   100 P = Q + 1
-      IP = P + 1
+      IP(1) = P + 1
 !
       DO 120 Q = P, N
       IF (Q .EQ. N) GO TO 140
@@ -2236,7 +2236,7 @@
       GO TO 600
   160 NORM = ABS(D(P))
 !
-      DO 180 I = IP, Q
+      DO 180 I = IP(1), Q
   180 NORM = NORM + ABS(D(I)) + ABS(E(I))
 !     ********** EPS2 IS THE CRITERION FOR GROUPING,
 !                EPS3 REPLACES ZERO PIVOTS AND EQUAL
@@ -2327,7 +2327,7 @@
   460 RV6(I) = RV6(I) * XU
 !     ********** ELIMINATION OPERATIONS ON NEXT VECTOR
 !                ITERATE **********
-  480 DO 520 I = IP, Q
+  480 DO 520 I = IP(1), Q
       U = RV6(I)
 !     ********** IF RV1(I-1) .EQ. E(I), A ROW INTERCHANGE
 !                WAS PERFORMED EARLIER IN THE