[gmx-users] Acpype doubts

2012-04-26 Thread Thales Kronenberger
I configure Amber1.5 and installed the Acpype compatible (the tests went
pretty well)

BUT when I tried to submit my own job by the line

acpype -i proteinname.mol2 -c user

i got the message:

==
=
| ACPYPE: AnteChamber PYthon Parser interfacE v. 2011-12-19 11:11:36Z Rev:
373 (c) 2011 AWSdS |
===
ACPYPE FAILED: [Errno 2] No such file or directory: 'tmp'
Total time of execution: less than a second
laboratorio24@laboratorio24-desktop:~/dinamicas/ATP$

it's my first time so take it easy pls ;)
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Re: [gmx-users] Acpype doubts

2012-04-27 Thread Alan
Hi Thales,

Amber 1.5? You mean Amber12 and ambertools12?

I haven't test with them yet, but it would help me if you run in the debug
mode and post the output here for me:

acpype -di proteinname.mol2 -c user


Thanks,

Alan

On 26 April 2012 19:02, Thales Kronenberger  wrote:

> I configure Amber1.5 and installed the Acpype compatible (the tests went
> pretty well)
>
> BUT when I tried to submit my own job by the line
>
> acpype -i proteinname.mol2 -c user
>
> i got the message:
>
> ==
> =
> | ACPYPE: AnteChamber PYthon Parser interfacE v. 2011-12-19 11:11:36Z Rev:
> 373 (c) 2011 AWSdS |
>
> ===
> ACPYPE FAILED: [Errno 2] No such file or directory: 'tmp'
> Total time of execution: less than a second
> laboratorio24@laboratorio24-desktop:~/dinamicas/ATP$
>
> it's my first time so take it easy pls ;)
>
>
> --
> gmx-users mailing listgmx-users@gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-requ...@gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Alan Wilter SOUSA da SILVA, DSc
Bioinformatician, UniProt - PANDA, EMBL-EBI
CB10 1SD, Hinxton, Cambridge, UK
+44 1223 49 4588
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