minimization does not converge

From: Revthi Sanker (revthi.sanker1990_at_gmail.com)
Date: Mon Jul 08 2013 - 11:43:27 CDT

• Next message: Liqun Zhang: "about interaction between protein and its image in namd simulation"
• Previous message: Ivana: "Re: REMD history file and question"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear all,
As per the details in the thread for the same error it was concluded that
it was identified as a bug in namd version 2.8 and was rectified in the
later releases.

www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/14324.html

I am right now using namd version 2.9 and still facing the same error.
Another thread that discussed the same error said that there could be
overlapping atoms, but I do not find any in my pdb file:

http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2008-2009/3522.html

Kindly provide your suggestions on how to rectify this as I am new a
beginner performing simulations.

Thank you for your help in advance

Revathi.S
M.S. Research Scholar
Indian Institute Of Technology, Madras
India
_________________________________

• Next message: Liqun Zhang: "about interaction between protein and its image in namd simulation"
• Previous message: Ivana: "Re: REMD history file and question"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:24 CST