X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.SHIELD;h=2ead23ec9ec3d89a7e9baf3184dc8481360243e0;hb=688de817003e3e5f38e18eee73f13c25419c7f00;hp=65d78919f32081b8f0b6cc4cfcd129edbfb6ce7a;hpb=2095e643aafa2fb192e066e69e5ca3b1a59c2727;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.SHIELD b/source/unres/src_MD-M/COMMON.SHIELD index 65d7891..2ead23e 100644 --- a/source/unres/src_MD-M/COMMON.SHIELD +++ b/source/unres/src_MD-M/COMMON.SHIELD @@ -1,12 +1,17 @@ double precision VSolvSphere,VSolvSphere_div,long_r_sidechain, & short_r_sidechain,fac_shield,grad_shield_side,grad_shield, - & buff_shield - integer ishield_list,shield_list + & buff_shield,wshield,lipscale,sslipi,sslipj, + & ssgradlipi,ssgradlipj + integer ishield_list,shield_list,ees0plist common /shield/ VSolvSphere,VSolvSphere_div,buff_shield, - & long_r_sidechain(ntyp), - & short_r_sidechain(ntyp),fac_shield(maxres), - & grad_shield_side(3,15,-1:maxres),grad_shield(3,-1:maxres), - & grad_shield_loc(3,15,-1:maxres), - & ishield_list(maxres),shield_list(15,maxres) + & long_r_sidechain(ntyp),sslipi,sslipj, + & ssgradlipi,ssgradlipj, + & short_r_sidechain(ntyp),fac_shield(maxres),wshield, + & grad_shield_side(3,maxcontsshi,-1:maxres), + & grad_shield(3,-1:maxres), + & grad_shield_loc(3,maxcontsshi,-1:maxres),lipscale, + & ishield_list(maxres),shield_list(maxcontsshi,maxres), + & ees0plist(maxconts,maxres) +