clean in COMMON

diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV
index a830225..732f6bb 100644 (file)
--- a/source/unres/src_MD-M/COMMON.DERIV
+++ b/source/unres/src_MD-M/COMMON.DERIV
@@ -1,4 +1,4 @@
-      double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long
+      double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long,
      & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,gliptranc,gliptranx,
      & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha,
      & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long,

diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS
index 90fdb7d..d6c5e46 100644 (file)
--- a/source/unres/src_MD-M/DIMENSIONS
+++ b/source/unres/src_MD-M/DIMENSIONS
@@ -16,7 +16,7 @@ C Max. number of coarse-grain processors
       parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
-      parameter (maxres=600)
+      parameter (maxres=800)
 C Appr. max. number of interaction sites
       integer maxres2,maxres6,mmaxres2
       parameter (maxres2=2*maxres,maxres6=6*maxres)

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index b1d6ee8..f38bcdd 100644 (file)
--- a/source/wham/src-M/DIMENSIONS
+++ b/source/wham/src-M/DIMENSIONS
@@ -14,7 +14,7 @@ c      parameter (max_cg_procs=maxprocs)
 C Max. number of AA residues
       integer maxres
 c      parameter (maxres=250)
-      parameter (maxres=500)
+      parameter (maxres=800)
 C Appr. max. number of interaction sites
       integer maxres2
       parameter (maxres2=2*maxres)