From: Adam Liwo Date: Thu, 14 May 2015 09:34:07 +0000 (+0200) Subject: Fixed the following components: X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=dea1134ff91a596fb8d8f79b621540bfa7e295e5;hp=dea1134ff91a596fb8d8f79b621540bfa7e295e5;p=unres.git Fixed the following components: - wham: in whamcalc1.F added ehomology_constr and DFA energy components to the minimal free energies; lack of this was often causing NaNs in the *.thermal files. - cluster: (i) assigned logical unit 38 to ientin (unasigned in the previou source; (ii) Fixed buffer conflict in MPI_AllGather - wham and cluster: ebend made compatible with that of the unres component ---