Hi:
I have recently installed AmberTools17 on my personal MacBook and ran into some issues with Leap. The installation was successful and I can summon xLeap with xQuartz without a problem. However, as I get to the “saveamberparm” step in the tutorials, both xLeap and tLeap crash unexpectedly without generating the files I need. This happens even with building the simplest molecule using the Leap interface (without importing PDB files). After going through the error message, I reset my environmental variable and Leap seems to be working for proteins and lipid parameters. But the same problem remains for nucleic acids. The error message only occurs in the command line saying:
"sh: line 1: 2149 Abort trap: 6 /Users/xichongliu/Applications/amber16/bin/teLeap -s -f leap.in -I/Users/xichongliu/Applications/amber16/dat/leap/cmd -I/Users/xichongliu/Applications/amber16/dat/leap/parm -I/Users/xichongliu/Applications/amber16/dat/leap/prep -I/Users/xichongliu/Applications/amber16/dat/leap/lib > tleap.out
“
Meanwhile, in the leap.log file, the log messages just end prematurely. I tried to install it on a Linux machine and there is no issue at all. I also ran an installation test using “make test” and many failures occurred with the same error message. I will include the test output in the attachment. If someone can advise me how to fix this, it would be wonderful! Thanks in advance!
Best,
Andy Liu
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Received on Wed Jun 21 2017 - 05:00:02 PDT
