Re: [AMBER] problem when performing the ired anaysis

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 7 Mar 2014 17:26:48 -0700

Hi,

Can you specify whether you were using ptraj or cpptraj, and which version
(i.e. what is the output of './update_amber --version' in your AMBERHOME
directory)?

-Dan


On Fri, Mar 7, 2014 at 4:18 PM, 肖立 <xiaoli19871216.gmail.com> wrote:

> Hi,all:
> I type the following code to do the ired analysis:
>
> trajin mdcrd5
> vector v1 :1.N ired :1.H
> vector v2 :2.N ired :2.H
> ...
> matrix ired name matired order 2
> analyze matrix matired out ired.vec order vecs 468 orderparamfile order.out
>
> It shows the following error message:
>
> "
>
>
> ANALYZE
> 1> ANALYZE MATRIX: Analyzing matrix matired and dumping results to
> ired.vec
> Calculating 468 eigenvectors and no thermodynamic data
> Calculating 468 eigenvectors and order parameters
> Order parameters will be written to order.out
>
> Segmentation fault (core dumped)
> "
> Can anyone tells me what's the matter and how to fix it?
> Thank you
> --
> Li Xiao
> University of California, Irvine
> Email: xiaoli19871216.gmail.com
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 07 2014 - 16:30:02 PST
Custom Search