just foo

[physik/posic.git] / sic.c

diff --git a/sic.c b/sic.c
index 7ab3dc9..a105987 100644 (file)
--- a/sic.c
+++ b/sic.c
@@ -137,8 +137,8 @@ int main(int argc,char **argv) {
 
        /* set temperature */
        printf("[sic] setting temperature\n");
-       //set_temperature(&md,273.0+1410.0);
-       set_temperature(&md,273.0+450.0);
+       set_temperature(&md,273.0+1410.0);
+       //set_temperature(&md,273.0+450.0);
        //set_temperature(&md,273.0);
        //set_temperature(&md,1.0);
        //set_temperature(&md,0.0);
@@ -158,7 +158,7 @@ int main(int argc,char **argv) {
 
        /* create the simulation schedule */
        printf("[sic] adding schedule\n");
-       moldyn_add_schedule(&md,30001,1.0);
+       moldyn_add_schedule(&md,20001,1.0);
 
        /* activate logging */
        printf("[sic] activate logging\n");