[gmx-users] query regarding a topology file
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
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
> 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
> a nail.
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