X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fkinetic_lesyng.f;h=db959b3b3ecf1143ff08ee38a80bd3c1a4546e16;hb=12cbc12a29258591c69825ec212046c31733e5a2;hp=8535f5d660d71b4c5c9569e6cf0759b9adc65cf0;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/kinetic_lesyng.f b/source/unres/src_MD-M/kinetic_lesyng.f index 8535f5d..db959b3 100644 --- a/source/unres/src_MD-M/kinetic_lesyng.f +++ b/source/unres/src_MD-M/kinetic_lesyng.f @@ -44,7 +44,7 @@ c to the velocities of the first Calpha. incr(j)=d_t(j,0) enddo do i=nnt,nct - iti=itype(i) + iti=iabs(itype(i)) if (itype(i).eq.10) then do j=1,3 v(j)=incr(j) @@ -81,7 +81,7 @@ c write(iout,*) 'KEr_p', KEr_p c The rotational part of the side chain virtual bond KEr_sc=0.0D0 do i=nnt,nct - iti=itype(i) + iti=iabs(itype(i)) if (itype(i).ne.10) then do j=1,3 incr(j)=d_t(j,nres+i)