From: Pawel Krupa <pk376@matrix.chem.cornell.edu>
Date: Sun, 15 May 2016 18:37:37 +0000 (-0400)
Subject: Extended maximum residue number and number of temperatures.
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=5a41583eef6863602c5bfee12edf437548213b36

Extended maximum residue number and number of temperatures.
---

diff --git a/source/unres/src_MD-M/DIMENSIONS b/source/unres/src_MD-M/DIMENSIONS
index 2b93b81..1e3f361 100644
--- 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=1200)
+      parameter (maxres=1300)
 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 00fa77f..67afa13 100644
--- 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=100)
+      parameter (maxres=1150)
 C Appr. max. number of interaction sites
       integer maxres2
       parameter (maxres2=2*maxres)
diff --git a/source/wham/src-M/DIMENSIONS.FREE b/source/wham/src-M/DIMENSIONS.FREE
index 691d9b2..2684687 100644
--- a/source/wham/src-M/DIMENSIONS.FREE
+++ b/source/wham/src-M/DIMENSIONS.FREE
@@ -4,8 +4,8 @@
       integer MaxSlice
       parameter (Max_Parm=1)
       parameter (MaxQ=1,MaxQ1=MaxQ+2)
-      parameter(MaxR=1,MaxT_h=32)
-      parameter(MaxSlice=40)
+      parameter(MaxR=1,MaxT_h=36)
+      parameter(MaxSlice=20)
       integer MaxN
       parameter (MaxN=100)
       integer MaxPrintConf
diff --git a/source/wham/src-M/DIMENSIONS.ZSCOPT b/source/wham/src-M/DIMENSIONS.ZSCOPT
index 2f5ee76..cfc74a4 100644
--- a/source/wham/src-M/DIMENSIONS.ZSCOPT
+++ b/source/wham/src-M/DIMENSIONS.ZSCOPT
@@ -25,7 +25,7 @@ c Maximum number of grid points in energy map evaluation
       parameter (max_x=200,max_y=200,max_minim=1000)
 c Maximum number of processors
       integer MaxProcs
-      parameter (MaxProcs = 2048)
+      parameter (MaxProcs = 128)
 c Maximum number of optimizable parameters
       integer max_paropt
       parameter (max_paropt=500)