不经意间的呐喊 发表于 2014-9-17 11:13:32

amber计算自由能错误

如下所示，Error in box coord line of trajectory md.mdcrd.
Expect only 3 or 6 box coords.
Problem line: 00 40.500 91.610
Error: Could not set up md.mdcrd for reading.
Error: trajin: Could not set up trajectory.
google也没找到答案，求解答，谢谢

墨竹晓风 发表于 2014-9-21 11:08:39

目测是mdcrd文件或者in文件出错？
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