AMBER Archive (2009)
Subject: [AMBER] How to solve the problem "RESTARTED DUE to LINMIN FAILURE"
From: Jianping Lin (jianpingl_at_gmail.com)
Date: Mon Aug 03 2009 - 09:57:28 CDT
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
Thanks a lot.
AMBER mailing list