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
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
2 matches
Mail list logo