[gmx-users] cannot generate .top file

Kwee Hong joyssstan0202 at gmail.com
Wed Oct 29 06:12:44 CET 2008


Oo.. I'm so sorry for I'm not aware of this. But I'm really new to linux
environment and don't really have a good mastering skill on the commandline
that it works with. As you said that I'm not given the permission to write
in that directory, sudo was the only thing that I can think of out from my
knowledge. I don't really know how to do my work at the subdirectory of my
hoe directory. And does the meaning of "adjust your environment variables to
give you ready access to GROMACS stuff by using "source /path/to/GMXRC"
using the  path in which you installed the GROMACS binaries" requires me to
make some changes in the source code or just by typing "source
/path/to/GMXRC" at the terminal would have open the access for me in the
directory? I'm sorry for my ignorance... I think I would better get some
books on linux environment and read on it first.

Joyce

On Wed, Oct 29, 2008 at 12:11 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> Kwee Hong wrote:
>
>> Hi. Thanks for your enlightenment. Now, I'm able to run pdb2gmx with the
>> output files produced. I just added 'sudo' before ./pdb2gmx and it allows me
>> to write in the directory. But unfortunately, this step seem does not work
>> for ./gmxtest.pl. I'm having the same output even after i had added 'sudo'
>> in front of it.
>>
>
> If you do this kind of thing, your machine is a ticking time bomb. I gave
> you good advice last time. I'm not going to give you more :-)
>
>
> Mark
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