[gmx-users] invalid order for directive

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 3 15:32:17 CEST 2011


On 3/05/2011 9:19 PM, 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.

Please do not reply to an entire digest. Remove the irrelevant text, and 
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.top and .itp files have a specific format, and the [directives] have to 
appear in a given order. Yours violate that order. See the examples in 
chapter 5, or from a tutorial.

Mark



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