[RMCProfile-users] Fwd: Re: Atomeye configuration from .rmc6f

[Henrik Mauroy]

Dear everyone.
The data2config.f90 that Martin sent earlier works fine.
See conversation below.


-------- Original Message --------
Subject: 	Re: [RMCProfile-users] Atomeye configuration from .rmc6f
Date: 	Mon, 17 Mar 2014 11:05:48 +0000
From: 	Henrik Mauroy <hmauroy at gmail.com>
To: 	Martin Dove <martin.dove at qmul.ac.uk>



Hi Martin!
I'm terribly sorry. The output works with atomeye. I just looked at the 
cfg-file and saw that it was different from the usual atomeye-config files.
I also think the ad-hoc method was a clumsy way of doing it.
Thanks!

I you are moderating the RMC-list email you should delete my former 
email which is pending;)

Henrik

On 17.03.2014 10:59, Martin Dove wrote:
> Hi
>
> I am in a meeting today so will only be able to look at this 
> intermittently, but it makes no sense to give up and chose something 
> else. The idea is that data2config should work. It has worked in my 
> tests before.
>
> Does the file produced really not work at all. It is certainly 
> different, but that is because atom eye accepts various options.
>
> Best wishes
>
> Martin
>
> On 17 Mar 2014, at 10:55, Henrik Mauroy <hmauroy at gmail.com 
> <mailto:hmauroy at gmail.com>> wrote:
>
>> Hi Martin.
>> Thanks a lot! However, it looks like the program is not giving the 
>> right output, see attached atomeye.cfg file 
>> 'rmcsf6_190keye_MartinVersion.cfg'.
>> I thought I had looked through the manual thoroughly enough, but I 
>> stumbled over a special case .bat file in the exe-directory 
>> ('get_atomeye_sf6.bat') which converts the example rmc6f-file into 
>> the old .cfg-format before running rmc_to_atomeye.exe. Output from 
>> the same rmc6f-file is attached as well, 
>> 'rmcsf6_190keye_mattVersion.cfg'.
>>
>> Thanks again for the help!
>>
>> Henrik
>>
>> On 16.03.2014 09:40, Martin Dove wrote:
>>> Hi
>>>
>>> My data2config program (latest version, attached) will convert from 
>>> .rmc6f to the atomeye format. Perhaps Matt can compile for Windows 
>>> for you. The command would be
>>>
>>> data2config -one -atomeye whatever.rmc6f
>>>
>>> Best wishes
>>>
>>> Martin
>>>
>>>
>>>
>>>
>>>
>>> On 14 Mar 2014, at 18:11, Henrik Mauroy <hmauroy at gmail.com 
>>> <mailto:hmauroy at gmail.com>> wrote:
>>>
>>>> Dear users.
>>>>
>>>> I'm new to RMCProfile and would like to start using the new 
>>>> configuration file format, .rmc6f , from the beginning (as Matt et 
>>>> al. tells me in the manual...).
>>>> However, I'm quite fond of the atomeye.exe program, and have been 
>>>> using it earlier to display my RMCPOW-data, but I'm unable 
>>>> to create the atomeye.cfg file from the new .rmc6f format using 
>>>> rmc_to_atomeye.exe.
>>>>
>>>> How can I do this?
>>>>
>>>> Cheers,
>>>> Henrik
>>>> _______________________________________________
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>>>> rmcprofile-users at rmcprofile.org 
>>>> <mailto:rmcprofile-users at rmcprofile.org>
>>>> http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users
>>>> -- 
>>>> Scanned by iCritical.
>>>
>>>
>>>
>>> _______________________________________________
>>> rmcprofile-users mailing list
>>> rmcprofile-users at rmcprofile.org
>>> http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users
>>
>> <rmcsf6_190keye_MartinVersion.cfg><rmcsf6_190keye_mattVersion.cfg>
>



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