Subject: strange output

From: "Carsten Detering" <[email-masked]>
Date: Thu, 11 Apr 2002 20:54:24 +0200

Dear CClers,

I discovered a strange output from a couple of my AutoDock runs:

       INITIALIZING AUTOMATED DOCKING SIMULATION
        _________________________________________

RUN 3...

Time-dependent Seed:  1018551687

Sorry, too many retries (10000).  Continuing...

Will use the state with the lowest energy found, 123.04

                INITIAL STATE:
?Á°¡+ƒ+_<-q¦a+-^Æyåñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶
                ______________

INITIAL STATE:  ?Á°¡+ƒ+_<-q¦a+-^Æyåñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶USER
Transformed Initial Coordinates
INITIAL STATE:  ?Á°¡+ƒ+_<-q¦a+-^Æyåñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
1  C23 ROS     1     102.878 -75.105 -82.340 +1.00 +0.00    +0.211
INITIAL STATE:  ?Á°¡+ƒC23 ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
2  n2  ROS     1     103.064 -74.820 -80.873 +1.00 +0.00    -0.504
INITIAL STATE:  ?Á°¡+ƒn2  ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
3  C22 ROS     1     104.009 -75.780 -80.259 +1.00 +0.00    +0.211
INITIAL STATE:  ?Á°¡+ƒC22 ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
4  C6  ROS     1     102.337 -73.748 -80.329 +1.00 +0.00    +0.083
INITIAL STATE:  ?Á°¡+ƒC6  ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
5  C5  ROS     1     102.591 -73.551 -78.925 +1.00 +0.00    +0.000
INITIAL STATE:  ?Á°¡+ƒC5  ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
6  C8  ROS     1     100.694 -71.877 -80.408 +1.00 +0.00    +0.000
INITIAL STATE:  ?Á°¡+ƒC8  ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
7  C11 ROS     1     100.499 -70.520 -77.045 +1.00 +0.00    +0.000
INITIAL STATE:  ?Á°¡+ƒC11 ROS     1åñ"?´^ÑÙJ@Hm;5@!¹TD-@YÑ?o¶ATOM
8  C3  ROS     1     101.427 -71.325 -76.396 +1.00 +0.00    +0.026
....

Does any of you have an idea what this could be caused by?? My guess is that
it is related to the random number generator, but I am not sure. Appreciate
helpful suggestions.

Thanks,
Carsten

------------------------

Carsten Detering
University of Washington
Seattle, WA 98195
Phone: 206 543 5081
email: [email-masked]