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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Received on Wed Apr 28 2004 - 03:53:00 PDT