Merge branch 'prerelease-3.2.1' into czarek

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

diff --git a/source/unres/src_MD-M/mcm.F b/source/unres/src_MD-M/mcm.F
index 7f839f4..09d00f5 100644 (file)
--- a/source/unres/src_MD-M/mcm.F
+++ b/source/unres/src_MD-M/mcm.F
@@ -110,6 +110,8 @@ crc      include 'COMMON.DEFORM1'
       double precision varia(maxvar),varold(maxvar),elowest,eold,
      & przes(3),obr(3,3)
       double precision energia(0:n_ene)
+      double precision coord1(maxres,3)
+
 
 C---------------------------------------------------------------------------
 C Initialize counters.
@@ -170,7 +172,7 @@ C Minimize the energy of the first conformation.
         call enerprint(energia(0))
       endif
       if (refstr) then
-        call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup),nsup,przes,
+        call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup,1),nsup,przes,
      &             obr,non_conv)
         rms=dsqrt(rms)
         call contact(.false.,ncont,icont,co)
@@ -325,7 +327,7 @@ C Check against conformation repetitions.
               if (refstr) then
                 call var_to_geom(nvar,varia)
                 call chainbuild
-                call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup),
+                call fitsq(rms,c(1,nstart_seq),cref(1,nstart_sup,1),
      &                    nsup,przes,obr,non_conv)
                 rms=dsqrt(rms)
                 call contact(.false.,ncont,icont,co)