Hi,
I am getting an endless loop with AmberTools1.1 and 1.0 installations on
different machines. I have tested this out to 1 hour elapsed time.
However, with AnteChamber-1.27, the command completes and does so in 8
minutes.
The command is:
antechamber -fi mol2 -fo prepi -i chp3.mol2 -o chp3.prepin -j 5 -c bcc -s 2
The chp3.mol2 is attached.
Perhaps one of the developers could execute this in their AmberTools
environment to see what result they get there.
I have a tgz of the directory used for the run, and will send if anyone
wants to see that.
Is a different means of reporting a possible bug recommended?
Thanks,
Grange.
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- application/octet-stream attachment: chp3.mol2
Received on Wed Jul 16 2008 - 06:07:12 PDT
