X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=30f6ab1a6352c4cd2bd7bfabee0dd1111592f396;hb=fbad69b401dd3265da402f76b365aa80f6a99135;hp=1191c1875fb3ba5327dd2d5af65105d6e1572fbf;hpb=78c6b598700d2c701af6532afb20ebc905a0b8ef;p=unres.git

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index 1191c18..30f6ab1 100644
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -230,6 +230,8 @@ c Variable time step algorithm.
 #endif
         endif
         if (mod(itime,ntwx).eq.0) then
+C          call check_ecartint
+          call returnbox
           write (tytul,'("time",f8.2)') totT
           if(mdpdb) then
              call hairpin(.true.,nharp,iharp)
@@ -996,6 +998,8 @@ c Applying velocity Verlet algorithm - step 1 to coordinates
         d_t(j,0)=d_t_old(j,0)+adt
       enddo
       do i=nnt,nct-1	
+C      SPYTAC ADAMA
+C       do i=0,nres
         do j=1,3    
           adt=d_a_old(j,i)*d_time
           adt2=0.5d0*adt
@@ -1005,6 +1009,7 @@ c Applying velocity Verlet algorithm - step 1 to coordinates
         enddo
       enddo
       do i=nnt,nct
+C        do i=0,nres
         if (itype(i).ne.10 .and. itype(i).ne.ntyp1) then
           inres=i+nres
           do j=1,3