corrected rst file

[unres4.git] / source / unres / data / control_data.f90

diff --git a/source/unres/data/control_data.f90 b/source/unres/data/control_data.f90
index 6ec06d0..1b4e429 100644 (file)
--- a/source/unres/data/control_data.f90
+++ b/source/unres/data/control_data.f90
@@ -2,7 +2,7 @@
 !-----------------------------------------------------------------------------
 ! Max. number of types of dihedral angles & multiplicity of torsional barriers
 ! and the number of terms in double torsionals
-      integer,parameter :: maxtor=4,maxterm=10,maxlor=3
+      integer,parameter :: maxlor=3,maxterm=10 !maxtor=4
       integer,parameter :: maxtermd_1=8,maxtermd_2=8
 !-----------------------------------------------------------------------------
 ! Max. number of groups of interactions that a given SC is involved in
@@ -10,11 +10,11 @@
 !-----------------------------------------------------------------------------
 ! Max. number of residue types and parameters in expressions for 
 ! virtual-bond angle bending potentials
-      integer,parameter :: maxthetyp=3,maxthetyp1=maxthetyp+1
-      integer,parameter :: maxtheterm=20
-      integer,parameter :: maxtheterm2=6,maxtheterm3=4
-      integer,parameter :: maxsingle=6,maxdouble=4
-      integer,parameter :: mmaxtheterm=maxtheterm
+!      integer,parameter :: maxthetyp=3,maxthetyp1=maxthetyp+1
+!      integer,parameter :: maxtheterm=20
+!      integer,parameter :: maxtheterm2=6,maxtheterm3=4
+!      integer,parameter :: maxsingle=6,maxdouble=4
+!      integer,parameter :: mmaxtheterm=maxtheterm
 !-----------------------------------------------------------------------------
 ! Max number of torsional terms in SCCOR
       integer,parameter :: maxterm_sccor=7000
@@ -23,13 +23,14 @@
 !      integer,parameter :: maxlob=4 in geometry
 !-----------------------------------------------------------------------------
 ! Max. number of S-S bridges
-      integer,parameter :: maxss=20
+!      integer,parameter :: maxss=20
 !-----------------------------------------------------------------------------
 !-----------------------------------------------------------------------------
 ! commom.control
 !      common /cntrl/
       integer :: modecalc,iscode,indpdb,indback,indphi,iranconf,&
-       icheckgrad,iprint,i2ndstr,mucadyn,constr_dist,symetr
+       icheckgrad,iprint,i2ndstr,mucadyn,constr_dist,symetr,shield_mode,&
+       tubemode
       logical :: minim,refstr,pdbref,overlapsc,&
        energy_dec,sideadd,lsecondary,read_cart,unres_pdb,&
        vdisulf,searchsc,lmuca,dccart,extconf,out1file,&
@@ -50,7 +51,7 @@
 !-----------------------------------------------------------------------------
 ! common.spitele
 !      common /splitele/
-      real(kind=8) :: r_cut,rlamb
+      real(kind=8) :: r_cut,rlamb,r_cut_ele,rlamb_ele
 !-----------------------------------------------------------------------------
 ! common.time1
 !     FOUND_NAN - set by calcf to stop sumsl via stopx
@@ -85,7 +86,7 @@
       integer,parameter :: MaxMoveType = 4
 !-----------------------------------------------------------------------------
 ! Max. number of processors.
-      integer,parameter :: maxprocs=2048
+!      integer,parameter :: maxprocs=2048
 !el      integer,parameter :: maxprocs=4200
 !-----------------------------------------------------------------------------
 !-----------------------------------------------------------------------------