X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fmts%2Fverlet2.f;fp=source%2Funres%2Fsrc_MD%2Fmd-diff%2Fmts%2Fverlet2.f;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=9cae6fb9cd114d6ba288bedf81338444ded0608e;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/unres/src_MD/md-diff/mts/verlet2.f b/source/unres/src_MD/md-diff/mts/verlet2.f deleted file mode 100644 index 9cae6fb..0000000 --- a/source/unres/src_MD/md-diff/mts/verlet2.f +++ /dev/null @@ -1,33 +0,0 @@ -c--------------------------------------------------------------------- - subroutine verlet2 -c Step 2 of the velocity Verlet algorithm: update velocities - 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_new(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_new(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_new(j,inres)+0.5d0*d_a(j,inres)*d_time - enddo - endif - enddo - return - end