[gmx-users] Environmental variable setting for gmx 5.0.4

RJ rajiv at kaist.ac.kr
Thu Apr 2 04:03:13 CEST 2015


Thanks a lot for your info Peter and Yoochan,


Adding the source in /etc/bash.bashrc works in ubuntu.


But I tried many times adding in ~/.bashrc before but it never worked to me.


How do i deal wiith centos ? it doesnt have /etc/bash.bashrc file. I also added in ~/.bashrc but it doesnt work.


Any suggestion plz?




Date: Wed, 1 Apr 2015 17:20:29 +0900 
From: yoochan <yuchan.m at gmail.com> 
To: gmx-users at gromacs.org 
Subject: Re: [gmx-users] Environmental variable setting for gmx 5.0.4 
Message-ID: <53F2341B-5A16-48DF-A520-5D0C26AFD4C4 at gmail.com> 
Content-Type: text/plain; charset=utf-8 

Hi RJ, 

I think you need to inscribe 'source command' in your bash file. 

In case of Ubuntu environment, If you insert 'source command' for /etc/bash.bashrc, you can do use gromacs in all terminals without typing source command. 

You don?t need to set your PATH as you mentioned earlier. 

Yoochan 

> On Apr 1, 2015, at 2:35 PM, RJ <rajiv at kaist.ac.kr> wrote: 
> 
> Dear gmx, 
> I have installed the gmx in my ubuntu and centos system and tried to set the environmental variable path in-order to use without mentioning the source commend in my terminal of linux. 
> 
> 
> I tried to set my path as follows but couldn't success it. 
> 
> 
> export PATH=/usr/local/gromacs/bin/:$PATH 
> 
> 
> my "which gmx" shows the following installed path 
> 
> 
> /usr/local/gromacs/bin//gmx 
> 
> 
> I only able to obtain the gmx as every time by mentioning "source /usr/local/gromacs/bin/GMXRC" 
> 
> 
> Please advice me how do make gmx to work in default in all terminal ? 
> -- 
> Gromacs Users mailing list 
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! 
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists 
> 
> * For (un)subscribe requests visit 
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Date: Wed, 01 Apr 2015 10:35:00 +0200 
From: Peter Kroon <p.c.kroon at rug.nl> 
To: gmx-users at gromacs.org 
Subject: Re: [gmx-users] Environmental variable setting for gmx 5.0.4 
Message-ID: <551BADB4.8070504 at rug.nl> 
Content-Type: text/plain; charset="utf-8" 



On 04/01/2015 10:20 AM, yoochan wrote: 
> Hi RJ, 
> 
> I think you need to inscribe 'source command' in your bash file. 
> 
> In case of Ubuntu environment, If you insert 'source command' for /etc/bash.bashrc, you can do use gromacs in all terminals without typing source command. 
This would affect all users on the system. If you add 'source 
/usr/local/gromacs/bin/GMXRC' to the file ~/.bashrc it will only affect 
your user. 

Good luck, 
Peter 

> 
> You don?t need to set your PATH as you mentioned earlier. 
> 
> Yoochan 
> 
>> On Apr 1, 2015, at 2:35 PM, RJ <rajiv at kaist.ac.kr> wrote: 
>> 
>> Dear gmx, 
>> I have installed the gmx in my ubuntu and centos system and tried to set the environmental variable path in-order to use without mentioning the source commend in my terminal of linux. 
>> 
>> 
>> I tried to set my path as follows but couldn't success it. 
>> 
>> 
>> export PATH=/usr/local/gromacs/bin/:$PATH 
>> 
>> 
>> my "which gmx" shows the following installed path 
>> 
>> 
>> /usr/local/gromacs/bin//gmx 
>> 
>> 
>> I only able to obtain the gmx as every time by mentioning "source /usr/local/gromacs/bin/GMXRC" 
>> 
>> 
>> Please advice me how do make gmx to work in default in all terminal ? 
>> -- 
>> Gromacs Users mailing list 
>> 
>> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! 
>> 
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists 
>> 
>> * For (un)subscribe requests visit 
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org. 



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