Changeset 6650a56 for EXAMPLES/multicanonical.f

Timestamp:

11/19/09 11:29:38 (14 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

32289cd

Parents:

30644a9

Message:

Explicitly declare variables.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@32 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• EXAMPLES/multicanonical.f (modified) (3 diffs)

EXAMPLES/multicanonical.f

@@ -31 +31 @@
 !     Change the following directory path to where you want to put SMMP
 !     libraries of residues. 
-      libdir='../SMMP/'
+      libdir='../../SMMP/'
 
 !!     Choose energy type with the following switch
@@ -58 +58 @@
       iabin = 1  ! =0: read from PDB-file
                  ! =1: ab Initio from sequence (& variables)
-      seqfile='enkefa.seq'
+      seqfile='1vp.seq'
 !      varfile='EXAMPLES/enkefa.var'
       varfile = ' '
@@ -77 +77 @@
       temp=1000.0
 
-      call mulcan_par(nsweeps, nup, temp, kmin, kmax, binWidth, l_iter)
+!      call mulcan_par(nsweeps, nup, temp, kmin, kmax, binWidth, l_iter)
 ! Uncomment the following three lines to perform a multi canonical simulation with
 ! the parameters stored in muca.d
-!       nmes = 1000
-!       call mulcan_sim(nmes, nsweeps, nmes, nup, kmin, kmax, binWidth, 
-!      &                l_iter)
+       nmes = 1000
+       call mulcan_sim(nmes, nsweeps, nmes, nup, kmin, kmax, binWidth, 
+     &                l_iter)
       end program multicanonical_main