AMBER: : AMBER: pmf input files

From: Chunhu Tan <>
Date: Thu, 17 Aug 2006 09:36:30 -0700

Hi, Lauren,

   Maybe you can not use ntr = 1 in your input.

: []
Lauren O'Neil
ʱ: Wednesday, August 16, 2006 10:21 AM
: AMBER: pmf input files

Hello all,
I have a question regarding pmf input files. I am new to pmf calcs and
I prepared my input files just as they look in the amber 8 manual just
to get started. I am looking at a torsional angle in a DNA duplex. My
input files are attached. When I run the simulation it just gets
"stuck" when reading the restraints. My output file is also attached.
I assume that the problem is in the formatting of my chi.RST file, but
I'm not sure where. Thanks in advance.

Lauren O'Neil
Wiest Group
U. of Notre Dame

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Aug 20 2006 - 06:07:12 PDT
Custom Search