AMBER Archive (2005)

Subject: Re: AMBER: Re: Re: AMBER: ATTN REVISION

From: David A. Case (case_at_scripps.edu)
Date: Mon Apr 18 2005 - 23:37:13 CDT

On Tue, Apr 19, 2005, ?????? wrote:

> Thanks! The ligand is sildenafil. When I use:
> antechamber -i sid.out -fi gout -o sid.prep -fo prepi -c resp
> and
> parmchk -i sid.prep -f prepi -o sid.frcmod
> There is not any ATTN REVISION information in the sid.frcmod file. But When
> I load the parameters to my PDB file, the system always tell me there is one
> unknown element.

I don't understand what you mean when you say "load the parameters into my PDB
file". Can you say exactly what you tried, and what the exact message was
that resulted?

> So I have to use the fllowing order:
> antechamber -i sid.out -fi gout -o sid.prep -fo prepi -c resp -at amber

This won't work (as you know): There are no Amber atom types for this type of
functional group.

...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu