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[AMBER] 用amber运行,出现“xtc to mdcrd box coords”坐标错误

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发表于 2016-5-30 19:00:04 | 显示全部楼层 |阅读模式

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我是用VMD将Gromacs模拟得到的xtc轨迹转换成mdcrd轨迹,转换时候也是指定文件类型为“crdbox”,将转换好的mdcrd轨迹用amber运行,出现以下错误:
794 Error: trajin: Could not set up trajectory.
795 TrajError: Trajectory 1us.mdcrd has 0 frames!
796 Exiting. All files have been retained.
797 Error in box coord line of trajectory 1us.mdcrd.
798       Expect only 3 or 6 box coords.
799 Problem line:   63.740  55.820  54.870  64.000  54.840  55.010  63.560
800
801     Error: Could not set up 1us.mdcrd for reading.
802 Error: trajin: Could not set up trajectory.
803 Error in box coord line of trajectory 1us.mdcrd.
804       Expect only 3 or 6 box coords.
805 Problem line:   63.740  55.820  54.870  64.000  54.840  55.010  63.560
806
807     Error: Could not set up 1us.mdcrd for reading.
808 Error: trajin: Could not set up trajectory.
809 TrajError: Trajectory 1us.mdcrd has 0 frames!
810 Exiting. All files have been retained.
811 TrajError: Trajectory 1us.mdcrd has 0 frames!
812 Exiting. All files have been retained.

    其实就是mdcrd文件盒子坐标box coord不对!这个问题怎么解决呢???跪求大神指点!!!
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