revert DIMENSIONS corrected maxterm_sccor=6

error was in wham COMMON.SCCOR

diff --git a/source/cluster/wham/src-M/DIMENSIONS b/source/cluster/wham/src-M/DIMENSIONS
index bee34bb..1bcdf79 100644 (file)
--- a/source/cluster/wham/src-M/DIMENSIONS
+++ b/source/cluster/wham/src-M/DIMENSIONS
@@ -36,7 +36,7 @@ C Max. number of types of dihedral angles & multiplicity of torsional barriers
       parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=20)
+      parameter (maxterm_sccor=6)
 C Max. number of residue types and parameters in expressions for
 C virtual-bond angle bending potentials
       integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,

diff --git a/source/cluster/wham/src/DIMENSIONS b/source/cluster/wham/src/DIMENSIONS
index 6c98399..806387c 100644 (file)
--- a/source/cluster/wham/src/DIMENSIONS
+++ b/source/cluster/wham/src/DIMENSIONS
@@ -36,7 +36,7 @@ C Max. number of types of dihedral angles & multiplicity of torsional barriers
       parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=20)
+      parameter (maxterm_sccor=6)
 C Max. number of residue types and parameters in expressions for
 C virtual-bond angle bending potentials
       integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,

diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS
index ce6b1a0..2b93b81 100644 (file)
--- a/source/unres/src_MD-M/DIMENSIONS
+++ b/source/unres/src_MD-M/DIMENSIONS
@@ -59,7 +59,7 @@ C virtual-bond angle bending potentials
      & mmaxtheterm=maxtheterm)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=20)
+      parameter (maxterm_sccor=6)
 C Max. number of lobes in SC distribution
       integer maxlob
       parameter (maxlob=4)

diff --git a/source/unres/src_MD/DIMENSIONS b/source/unres/src_MD/DIMENSIONS
index 5f4d81b..5151ff7 100644 (file)
--- a/source/unres/src_MD/DIMENSIONS
+++ b/source/unres/src_MD/DIMENSIONS
@@ -54,7 +54,7 @@ C virtual-bond angle bending potentials
      & mmaxtheterm=maxtheterm)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=20)
+      parameter (maxterm_sccor=6)
 C Max. number of lobes in SC distribution
       integer maxlob
       parameter (maxlob=4)

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index 7e9ba42..00fa77f 100644 (file)
--- a/source/wham/src-M/DIMENSIONS
+++ b/source/wham/src-M/DIMENSIONS
@@ -48,7 +48,7 @@ C and the number of terms in double torsionals
       parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=20)
+      parameter (maxterm_sccor=6)
 C Max. number of residue types and parameters in expressions for
 C virtual-bond angle bending potentials
       integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,

diff --git a/source/wham/src/DIMENSIONS b/source/wham/src/DIMENSIONS
index aa1a6d0..281c414 100644 (file)
--- a/source/wham/src/DIMENSIONS
+++ b/source/wham/src/DIMENSIONS
@@ -45,7 +45,7 @@ C and the number of terms in double torsionals
       parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
 c Max number of torsional terms in SCCOR
       integer maxterm_sccor
-      parameter (maxterm_sccor=20)
+      parameter (maxterm_sccor=6)
 C Max. number of residue types and parameters in expressions for
 C virtual-bond angle bending potentials
       integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,

diff --git a/source/wham/src/include_unres/COMMON.SCCOR b/source/wham/src/include_unres/COMMON.SCCOR
index efe2f80..b9ec40d 100644 (file)
--- a/source/wham/src/include_unres/COMMON.SCCOR
+++ b/source/wham/src/include_unres/COMMON.SCCOR
@@ -6,7 +6,7 @@ cc Parameters of the SCCOR term
       integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor
       common /sccor/ v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp),
      &    v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp),
-     &    v0sccor(maxterm_sccor,-ntyp:ntyp),
+     &    v0sccor(-ntyp:ntyp,-ntyp:ntyp),
      &    vlor1sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
      &    vlor2sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
      &    vlor3sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),