AMBER Archive (2004)

Subject: AMBER: %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms

From: Jiten (jiten_at_postech.ac.kr)
Date: Tue Apr 27 2004 - 21:29:25 CDT

Dear Amber users,

When I run the Gibbs, I got the following error

%GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms

In amber reflector, somebody suggested to check the number of atoms in top and crd files.

Here it is

*.crd

 22214
  58.1869124 25.1941242 57.3222260 59.1409124 25.5271242 57.3432260
  57.7379124 25.5711242 56.5002260 58.1819124 24.1851242 57.3482260
  57.4019124 25.6931242 58.4472260 57.8499124 25.2611242 59.3422260 

----

*.top
%VERSION  VERSION_STAMP = V0001.000  DATE = 04/28/04  12:17:47                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
                                                                                
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
   22214      20   19601    2591    5816    3497   10887    6514       0       0
   51239    5999    2591    3497    6514      69     147      53      41       1
       1      69     126     210      69     126     210       1      66       0
----

So, the number of atoms are same in both the cases.

Could anybody suggest on how to solve this problem,

Thanking you,

Sincerely,

N. Jiten Singh
C/O Prof. Kwang S. Kim
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
Fax : 82-54-279-8137 (or +82-54-279-3399) 
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
Home Page : http://www.geocities.com/njs_19

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