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RDC
#36936 04/19/18 11:41 AM
Joined: Dec 2011
Posts: 4
P
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Dear all,
I am actually trying to use the RDC command in CHARMM v41b1.
Despite the fact that the code wall compiled with the FULL keyword, the RDC command is not accessible.
When invoking RDC, the executable output is :

CHARMM> RDC maxrdc 1000 urdc 13 !WITHOUT NORMALIZATION

***** LEVEL 0 WARNING FROM *****
***** Unrecognized command: RDC
******************************************
BOMLEV ( -6) IS NOT REACHED. WRNLEV IS 6

Any suggestion is welcomed.
Philippe.

Re: RDC
pcuniasse #36937 04/19/18 04:38 PM
Joined: Sep 2003
Posts: 8,500
rmv Online Content
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You need at least c42b1 for the RDC command.


Rick Venable
computational chemist


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