X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fminim.f90;h=a096a62872cccd1987d3ee9ab7199a2365bb555e;hb=a5189f6bb38b0708d043a694919b39f8f4a820a6;hp=ba2edc6d1843ed225727d4b206a1fae4b93884c3;hpb=4367d241fbb2bc284580092d2d177b7c79ac3a42;p=unres4.git diff --git a/source/unres/minim.f90 b/source/unres/minim.f90 index ba2edc6..a096a62 100644 --- a/source/unres/minim.f90 +++ b/source/unres/minim.f90 @@ -3664,9 +3664,9 @@ enddo endif enddo - call check_ecartint +! call check_ecartint call sumsl(k,d,x,func_dc,grad_dc,iv,liv,lv,v,idum,rdum,fdum) - call check_ecartint +! call check_ecartint k=0 do i=1,nres-1 do j=1,3 @@ -4993,7 +4993,7 @@ eps3der=evdwij*eps2rt evdwij=evdwij*eps2rt*eps3rt evdw=evdw+evdwij - if (wliptran.gt.0.0) print *,"WARNING eps_aq used!" +! if (wliptran.gt.0.0) print *,"WARNING eps_aq used!" if (lprn) then sigm=dabs(aa_aq(itypi,itypj)/bb_aq(itypi,itypj))**(1.0D0/6.0D0) epsi=bb_aq(itypi,itypj)**2/aa_aq(itypi,itypj)