dont calculate bending pot if ubend==0 . corrected number of chars fo…

…r k string
JohannHansing · Mar 17, 2017 · c4bfc44 · c4bfc44
1 parent c051b1d
commit c4bfc44
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/CConfiguration.cpp b/CConfiguration.cpp
@@ -266,7 +266,8 @@ void CConfiguration::calcBeadInteraction(){//TODO pep
                 _uSpring += utmp;
                 utot += utmp;
             }
-            if (j==i+2){
+            // BEND
+            if (j==i+2 && _uBend!=0){
                 if (rij==0) rij = sqrt(rijSq);
                 addBendingPot(rij, utmp, frtmp);
                 utot += utmp;

diff --git a/headers/SingleParticleSimulationPep.h b/headers/SingleParticleSimulationPep.h
@@ -45,7 +45,7 @@ string createDataFolder(string trigger, double timestep, double simtime, double
                         double particlesize, bool steric, bool ranU, double dvar, double polydiam, string peptide, double uDebye, double uBend){
     //NOTE: Maybe I can leave out dt, as soon as I settled on a timestep
     //NOTE: As soon as I create input-list with variables, I must change this function
-    char range[5];
+    char range[10];
     sprintf(range, "%.3f", potRange);
     //In the definition of folder, the addition has to START WITH A STRING! for the compiler to know what to do (left to right).
     string folder = "sim_data";