fix a few bugs

ccsb-scripps · Jun 12, 2018 · a9aa647 · a9aa647
1 parent e8479a7
commit a9aa647
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/energy.c b/energy.c
@@ -356,9 +356,9 @@ double lowerGridEnergy(double E) {
 	//	//return log10f(E) + 9;
 	//	return log(E) + 1.71828;
 	//}
-	if (E > 5) {
+	if (E > 1) {
 		//return log10f(E) + 9;
-		return log(E) + 5;
+		return log(E) + 1;
 	}
 	return E;
 }

diff --git a/main.c b/main.c
@@ -411,7 +411,7 @@ void simulate(Chain * chain, Chaint *chaint, Biasmap* biasmap, simulation_params
 					//sim_params->protein_model.external_k[0] = external_k;
 					//bestIndex = i*sim_params->pace + j;
 				}
-				else if (currIndex - lastIndex > swapGoodSteps) {
+				else if (currIndex - lastIndex > swapGoodSteps && rand()%10000<100) {
 					if (swapAneal || external_k == sim_params->protein_model.external_k[0]) {
 
 						swapInd = rand() % (swapLength + 1);
@@ -427,7 +427,7 @@ void simulate(Chain * chain, Chaint *chaint, Biasmap* biasmap, simulation_params
 
 
 			}
-			else if (currIndex - lastIndex > swapBadSteps) {
+			else if (currIndex - lastIndex > swapBadSteps && rand()%10000<1000 ) {
 				if (swapAneal || external_k == sim_params->protein_model.external_k[0]) {
 					swapInd = rand() % (swapLength + 1);
                                         //energy_matrix_print(chain, biasmap, sim_params);

diff --git a/metropolis.c b/metropolis.c
@@ -90,7 +90,7 @@ static int allowed(Chain *chain, Chaint *chaint, Biasmap* biasmap, int start, in
 	double internalloss = loss;
 	double external_k = 1.0;
 	if (sim_params->protein_model.external_potential_type == 5 || sim_params->protein_model.external_potential_type2 == 4)	external_k = sim_params->protein_model.external_k[0];
-	//if (q > 5) external_k = 0.02;
+	if (q > 5) external_k = 0.02;
 	//loss is negative!! if loss is negative, it's worse, bad
 	/* Metropolis criteria */
 	//loss += q - chain->Erg(0, 0);