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Creating an array in CHARMM script?
#27852 07/05/11 01:24 PM
Joined: Aug 2004
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Edo Offline OP
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Hi All,
I was wondering if it is possible to create an arbitrary array within in a CHARMM script? I'm aware that the 'scalar' keyword creates arrays, but from my reading of the documentation it appears to only do this as a function of the atom id. I would like to be able to define an array in the CHARMM script to the effect of:
stps[1]=100041
stps[2]=38781
... etc.

Any suggestions?
Thanks,
Ed

Re: Creating an array in CHARMM script?
Edo #27853 07/05/11 05:31 PM
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rmv Online Content
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See the detailed description of @@ syntax with the SET command, a bit over halfway through miscom.doc


Rick Venable
computational chemist


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