[Users-list] Pasted verbatim, but still can't found the license. Checked the filename too...

[Wong Hua]

I am sorry to bother again...
I think I've made the proper modifications, which means I've cleaned up 
PATH from all references to GRID_DIR, and now the aliases are given by 
env_grid.sh...
Launching with Grid gives the expected hang up...
So I think I cleared that out...

In last message you wrote :
ps: In passing from the command line executables to the Greater  GUI, on 
first run, don't forget to check paths and directories are  properly set 
inside the Options dialog (accessible from the File  menu).

So I went to the option dialog...

Here I've put :
GRID path ---> /users/invites/wong/mygrid/
grub.dat file ---> /users/invites/wong/mygrid/grub.dat

When importing PDB.pdb from the greater01 tutorial I have a GRIN error
I read the archive, and find nothing helpful because I set the proper 
path in the options, I think.

I followed the tutorial, launching Greater from
/users/invites/wong/mygrid/tutorials/greater01

set the filtering to semi-automatic

entered PDB.pdb into the dialog box

Here is the GRINLOUT text.

Did I forget something (again) ?

###########GRINLOUT#########################

 A file called:
 PDB_in.lout                                                                   

 already exists.   It has been renamed:
 PDB_in.lout.4                                                                 




 A file called:
 PDB_in.kout                                                                   

 already exists.   It has been renamed:
 PDB_in.kout.4                                                                 






 PROGRAM GRIN - (VERSION  22)
 ***************************
 ***************************



 DIRECTIVES
 ==========

 CODE       VALUE

 IDIR         5
 INAT        10   
/users/invites/wong/mygrid/grub.dat                        
 INKO        11   
PDB_in.pdb                                                 
 LOUT         6   
PDB_in.lout                                                
 KOUT        20   
PDB_in.kout                                                

 ALHY         0.0400
 IHVA         0
 LEVL         2
 MOVE         1
 IHAC         0
 NEHY         1
 QQHY         0.0000
 VDHY         0.6300

 *******************************************************************************


 MESSAGES AND WARNINGS CONCERNING INPUT FROM THE BROOKHAVEN DATA BANK:-
 --------------------------------------------------------------------


 HEADER      FIRST 
TEST                                                       

 TER                                                                           


 END                                                                           



 (N1030-I)  TOTAL CHARGE ON ALL ATOMS, HETATMS AND HYDROGENS
            WHICH ARE A PART OF THE TARGET =         8.001
            SET DIRECTIVE LEVL=3 AND REPEAT THIS RUN IF YOU WANT
            MORE INFORMATION ABOUT THE CHARGE DISTRIBUTION.















          *** THANK YOU FOR USING PROGRAM GRIN ***


            ....BUT PLEASE CHECK THE OUTPUT



    Please set Directive LEVL = 3 and rerun GRIN again if you
    need more detailed information about possible errors.