X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FDIMENSIONS;h=117b9fd89fa43bf9ffdcec360a2085d1e82e17be;hb=fc28ced95540ff82bc797dd8cd0f47ba844d93f6;hp=e9c0e9bb91108053eab120256000daf9e6d8c15f;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git

diff --git a/source/unres/src_MD/DIMENSIONS b/source/unres/src_MD/DIMENSIONS
index e9c0e9b..117b9fd 100644
--- 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=3)
+      parameter (maxterm_sccor=6)
 C Max. number of lobes in SC distribution
       integer maxlob
       parameter (maxlob=4)
@@ -90,7 +90,7 @@ C Max. number of conformations in the pool
       parameter (max_pool=10)
 C Number of energy components
       integer n_ene,n_ene2
-      parameter (n_ene=23,n_ene2=2*n_ene)
+      parameter (n_ene=28,n_ene2=2*n_ene)
 C Number of threads in deformation
       integer max_thread,max_thread2
       parameter (max_thread=4,max_thread2=2*max_thread)     
@@ -106,18 +106,18 @@ C Maximum number of groups of angles
 C Maximum number of chains
       integer mxch
       parameter (mxch=1)
-C Maximum number of generated conformations
-      integer mxio
-      parameter (mxio=2)
-C Maximum number of n7 generated conformations
-      integer mxio2
-      parameter (mxio2=2)
-C Maximum number of moves (n1-n8)
-      integer mxmv
-      parameter (mxmv=18)
-C Maximum number of seed
-      integer max_seed
-      parameter (max_seed=1)
+csaC Maximum number of generated conformations
+csa      integer mxio
+csa      parameter (mxio=2)
+csaC Maximum number of n7 generated conformations
+csa      integer mxio2
+csa      parameter (mxio2=2)
+csaC Maximum number of moves (n1-n8)
+csa      integer mxmv
+csa      parameter (mxmv=18)
+csaC Maximum number of seed
+csa      integer max_seed
+csa      parameter (max_seed=1)
 C Maximum number of timesteps for which stochastic MD matrices can be stored
       integer maxflag_stoch
       parameter (maxflag_stoch=0)
@@ -137,3 +137,6 @@ C to master; depends on nstex / ntwx ratio
 C Nose-Hoover chain - chain length and order of Yoshida algorithm
       integer maxmnh,maxyosh
       parameter(maxmnh=10,maxyosh=5)
+C Maximum number of templates in homology-modeling restraints
+      integer max_template
+      parameter(max_template=25)