X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.SHIELD;h=65d78919f32081b8f0b6cc4cfcd129edbfb6ce7a;hb=e4035e50115ab9c0e65b0445aed96096a5cb86d5;hp=7974844676f4d8754b19190e12b2c109c7755730;hpb=e910def1e1c1c0f0b35e8ce1cbf2a9ee59628771;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.SHIELD b/source/unres/src_MD-M/COMMON.SHIELD index 7974844..65d7891 100644 --- a/source/unres/src_MD-M/COMMON.SHIELD +++ b/source/unres/src_MD-M/COMMON.SHIELD @@ -1,9 +1,12 @@ double precision VSolvSphere,VSolvSphere_div,long_r_sidechain, - & short_r_sidechain,fac_shield + & short_r_sidechain,fac_shield,grad_shield_side,grad_shield, + & buff_shield integer ishield_list,shield_list - common /shield/ VSolvSphere,VSolvSphere_div, + common /shield/ VSolvSphere,VSolvSphere_div,buff_shield, & long_r_sidechain(ntyp), & short_r_sidechain(ntyp),fac_shield(maxres), - & ishield_list(maxres),shield_list(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)