X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD-5D%2Finitialize_p.F;h=8217663079b3a41588b218d32217b92338bfec53;hb=373aa6f0a2f16a8dda57c0c8a42259d57303f6f9;hp=baf3aa2d0e68505f21be5386ace73229570492ce;hpb=020e579626d686ec20ecd9f0cc4c8313f474e152;p=unres.git diff --git a/source/wham/src-HCD-5D/initialize_p.F b/source/wham/src-HCD-5D/initialize_p.F index baf3aa2..8217663 100644 --- a/source/wham/src-HCD-5D/initialize_p.F +++ b/source/wham/src-HCD-5D/initialize_p.F @@ -183,7 +183,7 @@ C Initialize the bridge arrays do i=1,maxss iss(i)=0 enddo - do i=1,maxdim + do i=1,maxdim_cont dhpb(i)=0.0D0 enddo do i=1,maxres @@ -304,7 +304,7 @@ c------------------------------------------------------------------------- ! 15 16 17 18 19 20 21 & "WHPB ","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC", ! 22 23 24 25 26 27 28 - & "WLIPTRAN","WAFM","WTHETC","WSHIELD","WSAXS","WHOMO","WDFAD", + & "WLT ","WAFM","WTHETC","WSHIELD","WSAXS","WHOMO","WDFAD", ! 29 30 31 & "WDFAT","WDFAN","WDFAB"/ data ww0 / @@ -396,7 +396,7 @@ c--------------------------------------------------------------------------- include 'COMMON.IOUNITS' include "COMMON.TORCNSTR" logical scheck,lprint - lprint=.false. + lprint=.true. do i=1,maxres nint_gr(i)=0 nscp_gr(i)=0