[gmx-users] Re: IN4 molecule type error

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 3 04:15:50 CET 2009

Ms. Aswathy S wrote:
> Hi,
> I have added the #include "drg.itp" statement under the title, ; Include forcefield parameters in the .top file. Thr drg.itp is saved in the current directory.
> Still showing the sanme error as previous.
> including a part of the top file.Please check this.
> ________________________________________
> ;	This is your topology file
> ;
> ; Include forcefield parameters
> #include "ffgmx.itp"
> #include "drg.itp" 

This line is your problem. Computers are literal, and they do not cope 
magically with cruft created by (for example) cutting and pasting HTML 
or editors that use proprietary document formats. The error message

 > > TEST1/trp.top:12:9: error: #include expects "FILENAME" or <FILENAME>

was telling you this.

To first order, anything that comes on a Microsoft CD should not be used 
for computational chemistry. :-)


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