X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FCOMMON.SHIELD;h=ac7ac983e0d7a21a2b1b9ddba641283e5b0d2e75;hb=3e546379756d1da3e7f8b6647ef4d3d90e4f1dc0;hp=1f96c94b67c72e5cd6bbd89cbc4e84d5d3c9cbde;hpb=973946f705cc8f936d25941cb67a0799a7368bb3;p=unres.git diff --git a/source/wham/src-M/COMMON.SHIELD b/source/wham/src-M/COMMON.SHIELD index 1f96c94..ac7ac98 100644 --- a/source/wham/src-M/COMMON.SHIELD +++ b/source/wham/src-M/COMMON.SHIELD @@ -1,9 +1,11 @@ double precision VSolvSphere,VSolvSphere_div,long_r_sidechain, & short_r_sidechain,fac_shield,grad_shield_side,grad_shield, - & buff_shield,wshield,grad_shield_loc + & buff_shield,wshield,grad_shield_loc,lipscale,sslipi,sslipj, + & ssgradlipi,ssgradlipj integer ishield_list,shield_list,ees0plist common /shield/ VSolvSphere,VSolvSphere_div,buff_shield, - & long_r_sidechain(ntyp), + & long_r_sidechain(ntyp),sslipi,sslipj, + & ssgradlipi,ssgradlipj,lipscale, & short_r_sidechain(ntyp),fac_shield(maxres),wshield, & grad_shield_side(3,maxcont,-1:maxres),grad_shield(3,-1:maxres), & grad_shield_loc(3,maxcont,-1:maxres),