X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fio_wham.F90;h=187502ee4a77211a6c83eecc930861497c007ddb;hb=5ec51dd877ddaf7847f1ce15c490656a063dfceb;hp=0fb9954030faccb9b04554d49ee65021c9cc20fa;hpb=09abe4a30c03bee1bc6b365ab886635bf04cb311;p=unres4.git

diff --git a/source/wham/io_wham.F90 b/source/wham/io_wham.F90
index 0fb9954..187502e 100644
--- a/source/wham/io_wham.F90
+++ b/source/wham/io_wham.F90
@@ -461,6 +461,7 @@ allocate(ww(max_eneW))
       wscloc=ww(12)
       wtor=ww(13)
       wtor_d=ww(14)
+      wstrain=ww(15)
       wvdwpp=ww(16)
       wbond=ww(18)
       wsccor=ww(19)
@@ -512,7 +513,7 @@ allocate(ww(max_eneW))
       weights(12)=wscloc
       weights(13)=wtor
       weights(14)=wtor_d
-      weights(15)=0 !wstrain !
+      weights(15)=wstrain !0
       weights(16)=wvdwpp !
       weights(17)=wbond
       weights(18)=0 !scal14 !
@@ -3727,8 +3728,9 @@ allocate(ww(max_eneW))
 !      include 'COMMON.HEADER'
 !      include 'COMMON.SBRIDGE'
       character(len=50) :: tytul
-      character(len=1),dimension(10) :: chainid=reshape((/'A','B','C',&
-                      'D','E','F','G','H','I','J'/),shape(chainid))
+      character(len=1),dimension(24) :: chainid=reshape((/'A','B','C',&
+                      'D','E','F','G','H','I','J','K','L','M','N','O',&
+                      'P','Q','R','S','V','W','X','Y','Z'/),shape(chainid))
       integer,dimension(nres) :: ica !(maxres)
       real(kind=8) :: temp,efree,etot,entropy,rmsdev
       integer :: ii,i,j,iti,ires,iatom,ichain,mnum