Dear amber user
I am doing ti, pmemd.mpi, amber14, cpu version with the following procedure:
1- minimization, 1000 cycle
2- equllibratin, to increase temp for 20ps.
3- ti calculation.
Ti stopped after 1ps with segmentation fault. The out put seems fine. I checked it with ntpr=1. It is fine also.
Any idea what could cause the problem.
Thanks
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Received on Mon Aug 31 2015 - 07:00:03 PDT
