AMBER Archive (2007)

Subject: AMBER: regarding energy calculation

From: gurpreet singh (gps.iitm_at_gmail.com)
Date: Wed Sep 26 2007 - 00:16:41 CDT

Hi Amber Users

 I am using ANAL module of AMBER 9 (although this has been explicitly
omitted from the manual but it is still working )

I made the following input file for Anal:

......................................................................
&cntrl
    ntx=1,kform=1,ntb=+n,ntf=7,cut=10.0,imax=1,iopt=ENERGY
   &end
.......................................................................
But in the output file i am getting the following error, i think the error
is because of something wrong in the input file,
 i am using Anal for the first time so please suggest me some way to rectify
this error
Also tell me if their is any online tutorial available for the Anal usage.
.................................................................................
1. RESOURCE USE:

     rfree: Error decoding variable 1 2 from:
   &end

     this indicates that your input contains

      incorrect information

     field 1 was supposed to have

      a (1=character, 2=integer, 3=decimal) value
~
........................................................................................

Thanks & Regards

Gurpreet

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu