From 6aad70a8f8898ab4603f7122fa7bb86ae8eec7cb Mon Sep 17 00:00:00 2001 From: Bartlomiej Zaborowski Date: Sat, 17 Nov 2012 11:11:41 -0500 Subject: [PATCH] Created and changes in COMMON files for MD_DFA --- source/unres/src_MD_DFA/COMMON.DERIV | 4 +++- source/unres/src_MD_DFA/COMMON.FFIELD | 1 + 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/source/unres/src_MD_DFA/COMMON.DERIV b/source/unres/src_MD_DFA/COMMON.DERIV index 2a5ddcf..58543a0 100644 --- a/source/unres/src_MD_DFA/COMMON.DERIV +++ b/source/unres/src_MD_DFA/COMMON.DERIV @@ -22,7 +22,9 @@ & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres), & gsccorx(3,maxres),gsccor_loc(maxres),dtheta(3,2,maxres), & gscloc(3,maxres),gsclocx(3,maxres), - & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg + & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg, + & gdfad(3,maxres),gdfat(3,maxres),gdfan(3,maxres),gdfab(3,maxres) + double precision derx,derx_turn common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2) double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres), diff --git a/source/unres/src_MD_DFA/COMMON.FFIELD b/source/unres/src_MD_DFA/COMMON.FFIELD index 2deca8e..29c73f0 100644 --- a/source/unres/src_MD_DFA/COMMON.FFIELD +++ b/source/unres/src_MD_DFA/COMMON.FFIELD @@ -7,6 +7,7 @@ C----------------------------------------------------------------------- common /ffield/ wsc,wscp,welec,wbond,wstrain,wtor,wtor_d,wang, & wscloc,wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4, & wturn6,wvdwpp,wsct,weights(n_ene),temp0, + & wdfa_dist,wdfa_tor,wdfa_nei,wdfa_beta, & scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp, & rescale_mode common /potentials/ potname(5) -- 1.7.9.5