problem in minimization

From: Ma'Mon Hatmal (hatmal_at_usc.edu)
Date: Tue Nov 08 2016 - 00:01:28 CST

• Next message: Ma'Mon Hatmal: "steepest descent"
• Previous message: Vermaas, Joshua: "Re: Parameters for determining run time"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear All,
I have a problem in minimization using namd, I'm doing minimization from
different conformationally starting structures, some of them give an error
after few cycles of minimization, the last message in the log file is:
"line minimizer reducing gradient from -1 IND to -1 IND"

Can any one help please,
Thanks

-- 
Dr. Ma'mon Hatmal
PhD and MSc in Biochemistry and Molecular Biology
MSc in Global Medicine
BSc in Medical Laboratory Sciences

• Next message: Ma'Mon Hatmal: "steepest descent"
• Previous message: Vermaas, Joshua: "Re: Parameters for determining run time"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:47 CST