X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fintcartderiv.F;h=b8df2da90f1e1c4b56ffaa548eb698cc66d4780b;hb=64d3b797c9fb8c3f07eeec74b7a565342d9c03e0;hp=a890c0a5568e5a76a8cfa03c8093eb04cf41bc97;hpb=288172e772cda54700b2686045846a4adb629383;p=unres.git

diff --git a/source/unres/src_MD-M/intcartderiv.F b/source/unres/src_MD-M/intcartderiv.F
index a890c0a..b8df2da 100644
--- a/source/unres/src_MD-M/intcartderiv.F
+++ b/source/unres/src_MD-M/intcartderiv.F
@@ -119,7 +119,7 @@ c the conventional case
 c    Obtaining the gamma derivatives from sine derivative			         
        if (phi(i).gt.-pi4.and.phi(i).le.pi4.or.
      &     phi(i).gt.pi34.and.phi(i).le.pi.or.
-     &     phi(i).gt.-pi.and.phi(i).le.-pi34) then
+     &     phi(i).ge.-pi.and.phi(i).le.-pi34) then
          call vecpr(dc_norm(1,i-1),dc_norm(1,i-2),vp1)
          call vecpr(dc_norm(1,i-3),dc_norm(1,i-1),vp2)
          call vecpr(dc_norm(1,i-3),dc_norm(1,i-2),vp3)