X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FCOMMON.ALLPARM;h=5b6284ad5e7920182841718521fcb4ba5adcfb32;hb=4d4be87fb43102a6a5be442699a953ef327ecbde;hp=a65a246c52d244a3fb5a919c7e734894c099248f;hpb=0c311441c65bffd482824c807e444e85e220d9da;p=unres.git diff --git a/source/wham/src-M/COMMON.ALLPARM b/source/wham/src-M/COMMON.ALLPARM index a65a246..5b6284a 100644 --- a/source/wham/src-M/COMMON.ALLPARM +++ b/source/wham/src-M/COMMON.ALLPARM @@ -20,7 +20,7 @@ & -maxthetyp1:maxthetyp1,2,max_parm), & ddthet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1, & -maxthetyp1:maxthetyp1, - & maxthetyp1,2,max_parm), + & -maxthetyp1:maxthetyp1,2,max_parm), & eethet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1, & -maxthetyp1:maxthetyp1, & -maxthetyp1:maxthetyp1,2,max_parm), @@ -66,8 +66,10 @@ & app_all(2,2,max_parm),bpp_all(2,2,max_parm), & ael6_all(2,2,max_parm),ael3_all(2,2,max_parm), & aad_all(ntyp,2,max_parm),bad_all(ntyp,2,max_parm), - & aa_all(ntyp,ntyp,max_parm),bb_all(ntyp,ntyp,max_parm), + & aa_aq_all(ntyp,ntyp,max_parm),bb_aq_all(ntyp,ntyp,max_parm), + & aa_lip_all(ntyp,ntyp,max_parm),bb_lip_all(ntyp,ntyp,max_parm), & augm_all(ntyp,ntyp,max_parm),eps_all(ntyp,ntyp,max_parm), + & epslip_all(ntyp,ntyp,max_parm), & sigma_all(ntyp,ntyp,max_parm),r0_all(ntyp,ntyp,max_parm), & chi_all(ntyp,ntyp,max_parm),chip_all(ntyp,max_parm), & alp_all(ntyp,max_parm),ebr_all(max_parm),d0cm_all(max_parm), @@ -83,7 +85,7 @@ & ntermd2_all(-maxtor:maxtor,-maxtor:maxtor, & -maxtor:maxtor,2,max_parm), & nbondterm_all(ntyp,max_parm),nthetyp_all(max_parm), - & ithetyp_all(ntyp1,max_parm),ntheterm_all(max_parm), + & ithetyp_all(-ntyp1:ntyp1,max_parm),ntheterm_all(max_parm), & ntheterm2_all(max_parm),ntheterm3_all(max_parm), & nsingle_all(max_parm),ndouble_all(max_parm), & nntheterm_all(max_parm), @@ -98,7 +100,8 @@ & v0_all,v1_all,v2_all,vlor1_all,vlor2_all,vlor3_all,v1c_all, & v1s_all,v2c_all,v2s_all,b1_all,b2_all,cc_all,dd_all,ee_all, & ctilde_all,dtilde_all,b1tilde_all,app_all,bpp_all,ael6_all, - & ael3_all,aad_all,bad_all,aa_all,bb_all,augm_all, + & ael3_all,aad_all,bad_all,aa_aq_all,bb_aq_all,augm_all, + & aa_lip_all,bb_lip_all,epslip_all, & eps_all,sigma_all,r0_all,chi_all,chip_all,alp_all,ebr_all, & d0cm_all,akcm_all,akth_all,akct_all,v1ss_all,v2ss_all,v3ss_all, & v1sccor_all,v2sccor_all,nbondterm_all,