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ansrang

木虫 (小有名气)

[交流] 【求助】demo运行不了? 已有7人参与

ubuntu 下按照网上教程:
The GROMACS demoThe demo is designed to demonstrate the user-friendlynessof the GROMACS software package. The only non-friendly part isthat it requires the C shell to run the script. If your shellis e.g. bash (common on Linux), first start the C shell with thecommand 'tcsh'. To run the demo, first moveto your tutor/gmxdemo directory:


cd tutor/gmxdemo


And then start the demo script:

demo



This demo handles a complete Molecular Dynamics simulation of apeptide in water, starting from a pdbstructure. You will be asked to press return a few times, and to run the trajectory viewer. Please read the instructions as you go along.

出 来提示:
No command 'demo' found, did you mean:
Command 'delo' from package 'delo' (universe)
Command 'idemo' from package 'ivtools-bin' (universe)
demo: command not found
请问这是怎么回事?
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ASP2009

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学习了

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我也遇到了同样的问题
8楼2010-08-09 23:18:30
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sophia_999

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lei0736(金币+2):谢谢 2010-06-29 11:05:51
“必须将Gromacs安装路径的bin文件夹加入到系统PATH变量中。如果不加入PATH变量,那么运行时要加入命令的绝对路径”

我不知道怎么加到PATH变量中,运行时用绝对路径就可以了。比如文件在/usr/gromacs/tutor/gmxdemo里,运行时就输入/usr/gromacs/tutor/gmxdemo/demo
2楼2010-06-29 11:01:18
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sophia_999

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ghcacj(金币+1):谢谢 2010-07-29 19:58:10
不过我试完发现没有结果文件,比如trj,gro。
3楼2010-06-29 11:10:48
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sikasun

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ghcacj(金币+1):谢谢 2010-07-29 19:58:00
引用回帖:
Originally posted by ansrang at 2010-05-03 21:15:04:
ubuntu 下按照网上教程:
The GROMACS demoThe demo is designed to demonstrate the user-friendlynessof the GROMACS software package. The only non-friendly part isthat it requires the C shell to run th ...

运行的时候是./demo
不是直接写demo


demo我倒是运行了,可是一路到最后时ngmx命令没有找到
4楼2010-07-29 19:19:57
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