X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FMD_A-MTS.F;h=08852bac4f12a5273d7b2073d3303df9547e4eb0;hb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;hp=ca52aaaa65b68275c44abeeb8d5014d6f9556d80;hpb=5836ecdab5a8b95f079bbf6e07374dee3fce8a26;p=unres.git diff --git a/source/unres/src-HCD-5D/MD_A-MTS.F b/source/unres/src-HCD-5D/MD_A-MTS.F index ca52aaa..08852ba 100644 --- a/source/unres/src-HCD-5D/MD_A-MTS.F +++ b/source/unres/src-HCD-5D/MD_A-MTS.F @@ -1256,7 +1256,6 @@ c write (iout,*) "friction accelerations" call fivediaginv_mult(dimen,fric_work, d_af_work) c write (iout,*) "stochastic acceleratios" call fivediaginv_mult(dimen,stochforcvec, d_as_work) -c write (iout,*) "Leaving sddir_precalc" #else call ginv_mult(fric_work, d_af_work) call ginv_mult(stochforcvec, d_as_work) @@ -1266,6 +1265,7 @@ c write (iout,*) "Leaving sddir_precalc" write (iout,'(3f10.5)') (d_af_work(i),i=1,dimen3) write (iout,*) "d_as_work" write (iout,'(3f10.5)') (d_as_work(i),i=1,dimen3) + write (iout,*) "Leaving sddir_precalc" #endif return end @@ -2187,7 +2187,7 @@ c----------------------------------------------------------- double precision xv,sigv,lowb,highb,vec_afm(3),Ek1,Ek2,Ek3,aux integer i,ii,j,k,l,ind double precision anorm_distr - logical lprn /.true./ + logical lprn /.false./ #ifdef FIVEDIAG integer ichain,n,innt,inct,ibeg,ierr double precision work(8*maxres6) @@ -2797,8 +2797,8 @@ c enddo dc(j,0)=dc_work(j) d_t(j,0)=d_t_work(j) enddo - ind=3 - do i=nnt,nct-1 + ind=3 + do i=nnt,nct-1 do j=1,3 dc(j,i)=dc_work(ind+j) d_t(j,i)=d_t_work(ind+j)