CCL:G: Gaussian output problem



 Sent to CCL by: Ivo Jacobs [jacobs.ivo*|*gmail.com]
 Hello Maciek,
 
I don't actually know if this will solve your problem as I have never worked with such big systems, but have you tried to use the newzmat utility to convert the checkpoint file to some other format?
 HTH,
 Ivo
 On 23-11-10 2:45 PM, Maciej Maslyk maciejmarcin.maslyk .. ceu.es wrote:
 
 Sent to CCL by: "Maciej  Maslyk" [maciejmarcin.maslyk-,-ceu.es]
 Hi everyone,
 could you help me with one problem, please? Every time I'm running G03 job I got
 problem with outputs. The problem is that I cannot extract structures because
 there are stars **** instead of atom numbers higher than 9999. Have you ever had
 this problem in your calculation if you had more than 9999 atoms in the system?
 It looks like this in output:
   9995          1      20001030      -12.655571   46.600810   32.540627
   9996          1      20001030      -12.533484   47.134581   33.952118
   9997          8      20001021        2.441067  -19.529269   31.331119
   9998          1      20001030        2.813824  -19.307495   32.184450
   9999          1      20001030        1.933916  -20.325103   31.491166
   ****          8      20001021       37.587292  -11.572024   28.812192
   ****          1      20001030       37.333847  -11.927328   27.960694
   ****          1      20001030       38.095189  -12.272395   29.221488
   ****          8      20001021       23.735956  -43.072924   13.135294
   ****          1      20001030       23.388276  -42.182008   13.115359
   ****          1      20001030       22.974070  -43.624340   13.312930
 Do you have any suggestions?
 Thanks in advance
 Maciek>