frchalaoux / acpype

Automatically exported from code.google.com/p/acpype
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Acpype failed error #12

Closed GoogleCodeExporter closed 8 years ago

GoogleCodeExporter commented 8 years ago
Hi,

I am facing a problem using acpype. 

What is the expected output? What do you see instead?
 I expect to see the topologies and co-ordinate file but instead I get the error of acpype failed

What version of the product are you using? On what operating system?

I downloaded acpype from the svn command given in the website and am using 
scientific linux x86_64 GNU/Linux.

Please provide any additional information below.

I am appending below the contents copied from the terminal exactly for better 
reference.

================================================================================
===============
| ACPYPE: AnteChamber PYthon Parser interfacE v. 2012-09-13 14:55:47Z
Rev: 389 (c) 2012 AWSdS |
================================================================================
===============
==> ... charge set to -4
==> ... converting pdb input file to mol2 input file
==> * Babel OK *
==> Executing Antechamber...
==> * Antechamber OK *
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
/bin/sh: -c: line 0: syntax error near unexpected token `('
/bin/sh: -c: line 0: `which: no parmchk in
(.:.:.:/usr/lib64/qt-3.3/bin:/usr/local/bin:/usr/bin:/bin) -i
FDP_acpype_bcc_gaff.mol2 -f mol2 -o FDP_acpype_AC.frcmod'
++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ERROR: Parmchk failed
ERROR: Tleap failed
==> ... trying Sleap
==> Executing Sleap...
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
/bin/sh: -c: line 0: syntax error near unexpected token `('
/bin/sh: -c: line 0: `which: no sleap in
(.:.:.:/usr/lib64/qt-3.3/bin:/usr/local/bin:/usr/bin:/bin) -f
sleap.in'

++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ERROR: Sleap failed
==> Removing temporary files...
ACPYPE FAILED: [Errno 2] No such file or directory: 'FDP_acpype_AC.prmtop'
Total time of execution: 1m 4s

--------------

It would be really helpful if someone could help me and point out a better 
alternative to get acpype working in my system.

Kind Regards,

Ankita Naithani

Original issue reported on code.google.com by ankitana...@gmail.com on 25 Sep 2012 at 11:38

GoogleCodeExporter commented 8 years ago
This should be fixed in newer versions

Original comment by alanwil...@gmail.com on 22 Jul 2013 at 12:32

GoogleCodeExporter commented 8 years ago

Original comment by alanwil...@gmail.com on 22 Jul 2013 at 12:41