[gmx-users] gromacs for sp5 and g(r,theta)

acorrea at unisa.it acorrea at unisa.it
Mon Jul 11 13:16:18 CEST 2005


 
Hallo, 
I have two (maybe trivial) questions for the list: 
1-  
I would like to test gromacs on sp5 machine, somebody can help me: Have I to 
download a special version of the program, install some particular library...  
I tried to use the normal code but the results are not very  encouraging.... I 
thing that I am doing something of wrong. 
And is somebody using gromacs on sp5?  
 
2- 
in chapter 8 of the manual (3.2) I read that with g_rdf it is also possible to 
calculate an angle dependent r(r,theta) somebody can suggest me how I have to 
set the axis respect to which I want to define theta?  
 
 
 
Thanks in advance for any suggestion   
and have a nice day to everybody 
bye bye, 
Andrea. 
 
 
 
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