X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fmd%2Frespa_vel.f;fp=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fmd%2Frespa_vel.f;h=0000000000000000000000000000000000000000;hb=9e94e6ec0cc8ae8ad748dc90b3c83005ae9273ef;hp=273998eee8221f58077759ba11e6102988f8425b;hpb=a875f78a3d790e316c5443c0664f9fa24d52af82;p=unres.git diff --git a/source/unres/src_MD/md-diff/md/respa_vel.f b/source/unres/src_MD/md-diff/md/respa_vel.f deleted file mode 100644 index 273998e..0000000 --- a/source/unres/src_MD/md-diff/md/respa_vel.f +++ /dev/null @@ -1,34 +0,0 @@ -c--------------------------------------------------------------------- - subroutine RESPA_vel -c First and last RESPA step (incrementing velocities using long-range -c forces). - implicit real*8 (a-h,o-z) - include 'DIMENSIONS' - include 'COMMON.CONTROL' - include 'COMMON.VAR' - include 'COMMON.MD' - include 'COMMON.CHAIN' - include 'COMMON.DERIV' - include 'COMMON.GEO' - include 'COMMON.LOCAL' - include 'COMMON.INTERACT' - include 'COMMON.IOUNITS' - include 'COMMON.NAMES' - do j=1,3 - d_t(j,0)=d_t(j,0)+0.5d0*d_a(j,0)*d_time - enddo - do i=nnt,nct-1 - do j=1,3 - d_t(j,i)=d_t(j,i)+0.5d0*d_a(j,i)*d_time - enddo - enddo - do i=nnt,nct - if (itype(i).ne.10) then - inres=i+nres - do j=1,3 - d_t(j,inres)=d_t(j,inres)+0.5d0*d_a(j,inres)*d_time - enddo - endif - enddo - return - end