TclForces wrapmode FATAL ERROR: Setting parameter wrapmode from script failed

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue May 06 2014 - 05:49:45 CDT

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Hi experts,

does somebody know how "wrapmode" is supposed to be used within TclForces
calforces() procedure? I tried various ways (within calcforces, out of
calcforces) and all fail with:

TCL: Setting parameter wrapmode to nearest

FATAL ERROR: Setting parameter wrapmode from script failed

Otherwise, how to treat distances returned by "getbond" in TclForces
periodically?

Thanks in advance

Norman Geist

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• Next message: Kenno Vanommeslaeghe: "Re: Topology for lysine bouding in Epsilon"
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• Reply: Maxim Belkin: "Re: TclForces wrapmode FATAL ERROR: Setting parameter wrapmode from script failed"
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