[gmx-users] Invalid order for directive atomtypes

Justin A. Lemkul jalemkul at vt.edu
Tue May 3 13:23:24 CEST 2011

Geethu Issac wrote:
> Hello Mark.
> yes i did check the link :) . but the error has been shown in the 
> ffgmxnb.itp file.I had received the itp file from sega and i modified it 
> to a topology file.

Then either the original file was somehow incorrect, whatever you did to it is 
incorrect, or however you're assembling the resulting .top is incorrect.  The 
bottom line is something is out of order.  The manual, Chapter 5, describes the 
proper order for all topology components.

In the future, please do not reply to the entire digest, and be sure to choose a 
relevant subject line.  Otherwise the archive gets hopelessly confused.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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