X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadpdb.F;h=97e9aa86235e41efc2d97c1ee3a00c341144c6d7;hb=e35b804370a6a557a65f6426600850b530c33bd9;hp=563941b7de7f6af5da47cdf386fb2e3271fc81ce;hpb=655daea8c92192b68d2be86cf580c3fb68143e19;p=unres.git diff --git a/source/unres/src_MD/readpdb.F b/source/unres/src_MD/readpdb.F index 563941b..97e9aa8 100644 --- a/source/unres/src_MD/readpdb.F +++ b/source/unres/src_MD/readpdb.F @@ -260,6 +260,9 @@ c endif enddo iti=itype(i) di=dist(i,nres+i) +C 10/03/12 Adam: Correction for zero SC-SC bond length + if (itype(i).ne.10 .and. itype(i).ne.21. and. di.eq.0.0d0) + & di=dsc(itype(i)) vbld(i+nres)=di if (itype(i).ne.10) then vbld_inv(i+nres)=1.0d0/di