Hi Jose,
Updating Amber should still work - applying this specific part of the patch will fail. Jason might comment on details of how this is handled by update_amber.
You will be on the safe side if you revert to the original, unmodified source file before updating.
All the best,
Andy
On May 23, 2013, at 5:13 AM, jcgt wrote:
> Hi Andreas,
>
> By the way, if I modify the original source file, will it be bugfixed
> automatically by the amber compilation process once the bugfix is
> released ? Or will it fail because it can't find the exact line ?
>
> I am asking this to know if I have to revert to the original source
> file once I've recompiled with the modified one.
>
> Regards,
> Jose
>
>
> El 2013-05-22 01:48, Andreas Goetz escribió:
>> Hi Jose,
>>
>> This was an oversight on my side, all lines are truncated to 100
>> characters. A bugfix will be released at some point. In the meantime,
>> if you need longer lines in your template input file, you have to
>> modify the following source code file
>>
>> $AMBERHOME/src/sander/qm2_extern_gau_module.F90
>>
>> and change the length of the first occurrence of the character
>> variable read_buffer to something larger than 100, i.e. change
>>
>> character(len=100) :: read_buffer
>>
>> for example to
>>
>> character(len=512) :: read_buffer
>>
>> And then recompile sander.
>>
>> All the best,
>> Andy
>>
>> On May 21, 2013, at 6:32 AM, jcgt wrote:
>>
>>> Dear all;
>>>
>>> I`m trying to perform a QM/MM calculation interfacing gaussian09
>>> using a template file (gau_job.tpl). When the gau_job.inp is
>>> created,
>>> sander cuts the input line (A length limit?). Is there any way to
>>> solve
>>> this problem?
>>>
>>> Thanks!
>>>
>>> Jose Carlos Gómez
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>> --
>> Dr. Andreas W. Goetz
>> Assistant Project Scientist
>> San Diego Supercomputer Center
>> Tel : +1-858-822-4771
>> Email: agoetz.sdsc.edu
>> Web : www.awgoetz.de
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Dr. Andreas W. Goetz
Assistant Project Scientist
San Diego Supercomputer Center
Tel : +1-858-822-4771
Email: agoetz.sdsc.edu
Web : www.awgoetz.de
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 23 2013 - 07:30:04 PDT
