Hi Jagannath,
I don't see why you have to "prepare a ff**bon.itp" to go with your
molecule.itp. In case the regular bond type definitions are not
sufficient, you can just add the bonds, angles, dihedrals directly in
the .itp file. The bond_types, angle_types and dihedral_types are
mainly used for proper handling of special bonds (as defined in
specbond.dat). Have a thorough read-through of Chapter 5 of the
Manual.
Best,
Tsjerk
On 4/13/07, Jagannath Mondal <[EMAIL PROTECTED]> wrote:
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
> [EMAIL PROTECTED]
> +61 3 9903 9524
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to
> resemble
> a nail.
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
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