[gmx-users] query regarding a topology file

Jagannath Mondal jmondal at chem.wisc.edu
Fri Apr 13 03:56:39 CEST 2007


Thanks for reply. Yes, it uses the force-field file I created.  
Basically I found out that the dihedral which the program skips is  
also 0.

On Apr 12, 2007, at 8:43 PM, Dallas B. Warren wrote:

> Can't really help you directly, but it comes to mind when I read that
> error that may be something is incorrectly defined or formatted within
> your files.  It is not picking up the actual values, or something like
> that?  Is it using the forcefield files you created?
>
> Catch ya,
>
> Dr. Dallas Warren
> Lecturer
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9524
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to  
> resemble
> a nail.
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