X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;fp=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=21a2b7658ec0f659c85e02198f22913424684012;hp=63e020652a1b7c6dade2983d9e1febc13900c727;hb=e12c8db731e266c6e38b2f5883f3ae7c15bbfb98;hpb=e64f51efa7130a5e8e2ade165f9a7615e084bba0 diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index 63e0206..21a2b76 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -208,6 +208,7 @@ C call reada(weightcard,'WSC',wsc,1.0d0) write(iout,*) 'WSHIELD',wshield call reada(weightcard,'WTUBE',wtube,0.0d0) write(iout,*) 'WTUBE',wtube + call reada(weightcard,"LIPSCALE",lipscale,1.3D0) call reada(weightcard,'WLT',wliptran,0.0D0) call reada(weightcard,"ATRISS",atriss,0.301D0) call reada(weightcard,"BTRISS",btriss,0.021D0) @@ -217,6 +218,10 @@ C call reada(weightcard,'WSC',wsc,1.0d0) write (iout,*) "BTRISS=", btriss write (iout,*) "CTRISS=", ctriss write (iout,*) "DTRISS=", dtriss + if (shield_mode.gt.0) then + lipscale=0.0d0 + write (iout,*) "WARNING:liscale not used in shield mode" + endif dyn_ss=(index(weightcard,'DYN_SS').gt.0) do i=1,maxres dyn_ss_mask(i)=.false.