[gmx-developers] Suggestion: warning for trjconv -ur compact

Jochen Hub jhub at gwdg.de
Thu Oct 9 11:47:56 CEST 2008


Berk Hess wrote:
> Hi,
> 
> There already was a warning like this in trjconv, but the check was not
> strict enough.
> I fixed it.

Great! Thanks!
Jochen

> 
> Berk
> 
> Jochen Hub wrote:
>> Hi,
>>
>> I suggest to report a warning in trjconv when using -ur compact
>> *without* using -pbc atom or -pbc mol. In that case, -ur compact doesn't
>> work which may cause some confusion (and did confuse me yesterday :) ).
>>
>> Thanks to Erik for helping me out with that issue.
>>
>> I added that minor issue to the 'wishlist' in the wiki.
>>
>> Cheers, Jochen
>>
>>
>>
>>   
> 
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-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
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