AMBER Archive (2004)

Subject: Re: AMBER: Improper dihedral

From: Herbert Georg (hcgeorg_at_if.usp.br)
Date: Tue Jan 13 2004 - 09:36:29 CST

It's ok now... I was using TAB between fields and leap wasn't
recognizing... I replaced by a couple of SPACEs and it was all ok.
Thanks and sorry falks...

David A. Case escreveu:

>On Mon, Jan 12, 2004, Herbert Georg wrote:
>
>
>
>>Despite the fact that I have the parameters for improper dihedrals in my
>>frcmod file, I load a PDB and when I use saveamberparm, leap doesn't
>>apply the improper dihedrals parameters to the topology file.
>>
>>
>
>We need to know exactly what commands you gave to LEaP; in particular, how
>did you define the DMA residue (with a prepin or off file?)
>
>Also, how did you decide that the impropers were not being applied?
>
>..regards...dac
>
>
>

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