X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.LOCAL;fp=source%2Funres%2Fsrc_MD%2FCOMMON.LOCAL;h=a3f68dcf4bd50eb410f9d6bf05bfd9098f7ce569;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=837a7a3d2c91c4517fc25922b842e58caec62b6e;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/unres/src_MD/COMMON.LOCAL b/source/unres/src_MD/COMMON.LOCAL index 837a7a3..a3f68dc 100644 --- a/source/unres/src_MD/COMMON.LOCAL +++ b/source/unres/src_MD/COMMON.LOCAL @@ -29,7 +29,8 @@ C Parameters of ab initio-derived potential of virtual-bond-angle bending C Virtual-bond lenghts double precision vbl,vblinv,vblinv2,vbl_cis,vbl0,vbld_inv integer loc_start,loc_end,ithet_start,ithet_end,iphi_start, - & iphi_end,iphid_start,iphid_end,ibond_start,ibond_end, + & iphi_end,iphid_start,iphid_end,itau_start,itau_end,ibond_start, + & ibond_end, & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end, & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start, & iint_end,iphi1_start,iphi1_end, @@ -42,7 +43,8 @@ C Virtual-bond lenghts & iint_count(0:max_fg_procs-1),iint_displ(0:max_fg_procs-1) common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0 common /indices/ loc_start,loc_end,ithet_start,ithet_end, - & iphi_start,iphi_end,iphid_start,iphid_end,ibond_start,ibond_end, + & iphi_start,iphi_end,iphid_start,iphid_end,itau_start,itau_end, + & ibond_start,ibond_end, & ibondp_start,ibondp_end,ivec_start,ivec_end,iset_start,iset_end, & iturn3_start,iturn3_end,iturn4_start,iturn4_end,iint_start, & iint_end,iphi1_start,iphi1_end,iint_count,iint_displ,ivec_displ,