X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fcheckder_p.F;h=270f4cc5d8e725ca6d1a51ac06b8d73b274d8e12;hb=54453b9e3cc18886558071b1bce406b21e6566cf;hp=135aab75ff03ca959f1d4a55b0dd141a40201126;hpb=d101c97dea752458d76055fdbae49c26fff03c1f;p=unres.git diff --git a/source/unres/src_MD-M/checkder_p.F b/source/unres/src_MD-M/checkder_p.F index 135aab7..270f4cc 100644 --- a/source/unres/src_MD-M/checkder_p.F +++ b/source/unres/src_MD-M/checkder_p.F @@ -14,8 +14,8 @@ C Check the gradient of Cartesian coordinates in internal coordinates. * Check the gradient of the virtual-bond and SC vectors in the internal * coordinates. * - aincr=1.0d-7 - aincr2=5.0d-8 + aincr=1.5d-7 + aincr2=2.5d-8 call cartder write (iout,'(a)') '**************** dx/dalpha' write (iout,'(a)') @@ -282,7 +282,7 @@ c rlambd=0.3d0 c call intcartderiv c call checkintcartgrad call zerograd - aincr=8.0D-6 + aincr=8.0D-7 write(iout,*) 'Calling CHECK_ECARTINT.' nf=0 icall=0