intoduction of quartic restrains in multichain, bugfix in single chain

[unres.git] / source / wham / src-M / COMMON.ALLPARM

diff --git a/source/wham/src-M/COMMON.ALLPARM b/source/wham/src-M/COMMON.ALLPARM
index a65a246..88b480f 100644 (file)
--- a/source/wham/src-M/COMMON.ALLPARM
+++ b/source/wham/src-M/COMMON.ALLPARM
@@ -20,7 +20,7 @@
      & -maxthetyp1:maxthetyp1,2,max_parm),
      & ddthet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
      & -maxthetyp1:maxthetyp1,
-     & maxthetyp1,2,max_parm),
+     & -maxthetyp1:maxthetyp1,2,max_parm),
      & eethet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
      & -maxthetyp1:maxthetyp1,
      & -maxthetyp1:maxthetyp1,2,max_parm),
@@ -83,7 +83,7 @@
      & ntermd2_all(-maxtor:maxtor,-maxtor:maxtor,
      & -maxtor:maxtor,2,max_parm),
      & nbondterm_all(ntyp,max_parm),nthetyp_all(max_parm),
-     & ithetyp_all(ntyp1,max_parm),ntheterm_all(max_parm),
+     & ithetyp_all(-ntyp1:ntyp1,max_parm),ntheterm_all(max_parm),
      & ntheterm2_all(max_parm),ntheterm3_all(max_parm),
      & nsingle_all(max_parm),ndouble_all(max_parm),
      & nntheterm_all(max_parm),