Dear All,
I am learning how to use AMBER. When I minimize a protein structure in AMBER
using "maxcyc=200, ncyc-1, imini=1, cut=12.0, igb=1, ntb=0, ntpr=1",
I got the error "RESTARTED DUE to LINMIN FAILURE" and the output coordinate
with all the number is NaN.
Can someone tell me what it is going on with my simulation and how to solve
it?
Thanks a lot.
Jianping
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Received on Wed Aug 19 2009 - 20:17:15 PDT
