i install amber and amber tools but when i want run this command i get some error:
acpype -i ref-ligandChimera.mol2 -c user
acpype -i ref-ligandChimera.mol2 -c user
================================================================================================
| ACPYPE: AnteChamber PYthon Parser interfacE v. 2014-08-27 18:33:08Z Rev: 7828 (c) 2014 AWSdS |
================================================================================================
WARNING: no 'babel' executable, no PDB file as input can be used!
==> Reading user's charges from mol2 file...
==> ... charge set to 0
==> Executing Antechamber...
==> AC output file present... doing nothing
==> * Antechamber OK *
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
/bin/sh: 1: -i: not found
++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ERROR: Parmchk failed
ERROR: Tleap failed
==> Removing temporary files...
ACPYPE FAILED: [Errno 2] No such file or directory: 'ref-ligandChimera_AC.prmtop'
Total time of execution: less than a second
its ok or i do somethings wrong??
thanke you for your time.
On Friday, December 19, 2014 4:43 PM, David A Case <case.biomaps.rutgers.edu> wrote:
On Fri, Dec 19, 2014, Yaser Hosseini wrote:
> hi when i want install amber i get this error:
> Configuring fftw-3.3 (may be time-consuming)...
>
> ./configure2: 2290: cd: can't cd to fftw-3.3
> Error: FFTW configure returned 2
> FFTW configure failed! Check the fftw3_config.log file
> in the /home/yaser/amber14/AmberTools/src directory.
Please look at the file mentioned here, and report any error messages that
might be present.
> i was install fftw 3.3.4 but this error showed up.
Can you give more details? We ship fftw-3.3 with AmberTools, so users don't
need to install anything themselves. Where did you install version 3.3.4?
Did you by any chance remove or over-write the
$AMBERHOME/AmberTools/src/fftw-3.3 directory?
...dac
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Received on Sun Dec 21 2014 - 09:00:03 PST
