Re: [gmx-users] Acpype doubts

2012-04-27 Thread Alan
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 kronenberg...@gmail.com

[gmx-users] Acpype doubts

2012-04-26 Thread Thales Kronenberger
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: == = |