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77585218358

金虫 (正式写手)

[求助] ABF计算出错 已有1人参与

大家帮忙看看这是咋回事?在计算ABF是出错了,以前没算过ABF,运行教程的ABF计算没有出错,换到自己的体系就出错了。
colvars:       Error: keyword "" is not supported, or not recognized in this context.
colvars:       If this error message is unclear, try recompile with -DCOLVARS_DEBUG.
FATAL ERROR: Error in the collective variables module: exiting.
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Error in the collective variables module: exiting
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塞外寒梅

银虫 (初入文坛)

【答案】应助回帖

conf 文件和in文件中的pdb文件不一致
2楼2014-08-15 15:30:08
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