[gmx-users] about H-Bonds g_hbond

[Erik Marklund]

Justin A. Lemkul skrev:
>
>
> Erik Marklund wrote:
>> Hi,
>>
>> Please submit a bugzilla, assign it to me, and I'll try to fix it 
>> along with heaps of other things.
>>
>
> This bug has been outstanding for some time already:
>
> http://bugzilla.gromacs.org/show_bug.cgi?id=334
>
> -Justin
Ok. Thanks. I guess I was a bit sloppy. I'll look into it.
>
>> Erik Marklund
>>
>> Justin A. Lemkul skrev:
>>>
>>>
>>> babu gokul wrote:
>>>> Hi all
>>>> I am getting an error in g_hbond such as
>>>>  
>>>>  " Program g_hbond_d, VERSION 4.0.7
>>>> Source code file: gmx_hbond.c, line: 565
>>>> Fatal error:
>>>> Error in func_type Position Rest."
>>>>  
>>>>  Could anyone tell me how to solve this problem.
>>>> thanks in advance
>>>>  
>>>
>>> If you have position restraints defined, you can't run g_hbond for 
>>> some reason.  The work-around is to re-generate a .tpr file that 
>>> does not use position restraints and do the analysis.
>>>
>>> -Justin
>>>
>>>> E R Azhagiya singam
>>>>
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>>>>
>>>
>>
>>
>


-- 
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://folding.bmc.uu.se/