X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2FMD_data.f90;h=3273cfc3a64f35298df30056063abfe7a2eb9054;hb=fe0a8e52832b7703fb74f8b6909871fc17047a02;hp=2bfe6e5421a772bb0db778d667a5d3dc64ea3773;hpb=8d2ab9ba185dbbc31bfe3d1c66d7e1c9d632463b;p=unres4.git

diff --git a/source/unres/data/MD_data.f90 b/source/unres/data/MD_data.f90
index 2bfe6e5..3273cfc 100644
--- a/source/unres/data/MD_data.f90
+++ b/source/unres/data/MD_data.f90
@@ -64,15 +64,16 @@
       integer :: dimen,dimen1,dimen3
       integer :: lang,count_reset_moment,count_reset_vel
 !      common /inertia/
-      real(kind=8) :: IP,mp
-      real(kind=8),dimension(:),allocatable :: ISC,msc !(ntyp+1)
+      real(kind=8),dimension(5) :: IP,mp
+      real(kind=8),dimension(:,:),allocatable :: ISC,msc !(ntyp+1)
 !      common /langevin/
-      real(kind=8) :: rwat,etawat,stdfp,pstok,gamp!,Rb
+      real(kind=8) :: rwat,etawat
+      real(kind=8), dimension(5) :: pstok,gamp,stdfp
       real(kind=8) :: cPoise=2.9361d0, Rb=0.001986d0
-      real(kind=8),dimension(:),allocatable :: gamsc !(ntyp1)
-      real(kind=8),dimension(:),allocatable :: stdfsc !(ntyp)
+      real(kind=8),dimension(:,:),allocatable :: gamsc !(ntyp1)
+      real(kind=8),dimension(:,:),allocatable :: stdfsc !(ntyp)
 
-      real(kind=8),dimension(:),allocatable :: restok !(ntyp+1)
+      real(kind=8),dimension(:,:),allocatable :: restok !(ntyp+1)
       logical :: surfarea
       integer :: reset_fricmat
 !      common /mdpmpi/
@@ -103,4 +104,5 @@
 !      COMMON /BANII/ D
       real(kind=8),DIMENSION(:),allocatable :: D_ban !(MAXRES6) maxres6=6*maxres
 !-----------------------------------------------------------------------------
+      logical preminim ! pre-minimizaation flag
       end module MD_data