From: Pawel Krupa Date: Sat, 14 May 2016 21:57:54 +0000 (-0400) Subject: Number of temperatures in WHAM changed from 32 to 36 and WHPB name changed to WSTRAIN... X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=0a99051131ee7a9534747da5e79d4ffdcd8571cd Number of temperatures in WHAM changed from 32 to 36 and WHPB name changed to WSTRAIN (to be the same as in UNRES and cluster). --- diff --git a/source/wham/src/DIMENSIONS.FREE b/source/wham/src/DIMENSIONS.FREE index 6f133a5..6533b33 100644 --- a/source/wham/src/DIMENSIONS.FREE +++ b/source/wham/src/DIMENSIONS.FREE @@ -4,7 +4,7 @@ integer MaxSlice parameter (Max_Parm=32) parameter (MaxQ=4,MaxQ1=MaxQ+2) - parameter(MaxR=12,MaxT_h=32) + parameter(MaxR=12,MaxT_h=36) parameter(MaxSlice=40) integer MaxN parameter (MaxN=100) diff --git a/source/wham/src/initialize_p.F b/source/wham/src/initialize_p.F index bd617ee..6631c8a 100644 --- a/source/wham/src/initialize_p.F +++ b/source/wham/src/initialize_p.F @@ -236,7 +236,7 @@ c------------------------------------------------------------------------- data wname / & "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC", & "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD", - & "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC"/ + & "WSTRAIN","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC"/ data ww0 /1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0, & 1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,0.4d0,1.0d0,1.0d0, & 0.0d0,0.0/