From: Adam Sieradzan Date: Wed, 7 Aug 2013 16:05:10 +0000 (+0200) Subject: merge... X-Git-Tag: v.3.2~8 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=3c03fd5940ff7763df81f199e24355093f70c6fe merge... Merge branch 'prerelease-3.2.1' of mmka:unres into prerelease-3.2.1 Conflicts: source/wham/src/energy_p_new.F --- 3c03fd5940ff7763df81f199e24355093f70c6fe diff --cc source/wham/src/energy_p_new.F index 12f60f5,b6540fb..5b36ced --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@@ -3100,8 -3124,9 +3124,14 @@@ nbi=nbondterm(iti) if (nbi.eq.1) then diff=vbld(i+nres)-vbldsc0(1,iti) ++<<<<<<< HEAD +c write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff, +c & AKSC(1,iti),AKSC(1,iti)*diff*diff ++======= + if (lprn) + & write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff, + & AKSC(1,iti),AKSC(1,iti)*diff*diff ++>>>>>>> aee20d3590dc2913e3a9a4308ce5da7787993a66 estr=estr+0.5d0*AKSC(1,iti)*diff*diff do j=1,3 gradbx(j,i)=AKSC(1,iti)*diff*dc(j,i+nres)/vbld(i+nres)