Dear All,
I used to use Acpype before with Amber11. Now, I’m trying to use Acpype with AmberTools19, but it seems that the scripts failed in the state of prmchk. As far as I can see, it seems that AmberTools19 has prmchk2 NOT prmchk. This may be a reason for the failure of acpype. I have tried to search for solution, but still can’t find it. It would be very appreciated if one could help me solve this.
Do I need to use older version of AmberTools which I can’t find online now.
Below is the output I got
Thank for your help in advance.
Best Regards,
Prapasiri
================================================================================================
| ACPYPE: AnteChamber PYthon Parser interfacE v. 2016-09-29 13:56:28Z Rev: 9909 (c) 2020 AWSdS |
================================================================================================
==> ... charge set to 0
==> ... converting pdb input file to mol2 input file
==> * Babel OK *
==> Executing Antechamber...
==> AC output file present... doing nothing
==> * Antechamber OK *
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
/bin/sh: -i: command not found
++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ERROR: Parmchk failed
ERROR: Tleap failed
==> ... trying Sleap
==> Executing Sleap...
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++start_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
/bin/sh: -f: command not found
++++++++++end_quote+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ERROR: Sleap failed
==> Removing temporary files...
ACPYPE FAILED: [Errno 2] No such file or directory: 'S-ibu_AC.prmtop'
Total time of execution: less than a second
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Received on Sun May 24 2020 - 23:30:02 PDT
