Re: AMBER:

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Mon, 13 Mar 2006 16:35:30 -0500 (EST)

If you do not miss any parameter, it wont print anything in the frcmod
file after using the parmchk. I think the AMBER manual has an old example
in page # 82-83. Try to load the created .mol2 file into xleap and see if
u can create the prmtop/inpcrd files. I think it wont give an error
message (that means that u dont miss any force field parameter).

Good luck,

On Mon, 13 Mar 2006, Steve Seibold wrote:

> Hello Amber
>
> I am attempting to do an example (Thiophenol) in the AMBER8 manual on
> using Antechamber, but it is not working. It starts out ok and I get a
> correct "tp.mol2" file, but my "frcmod" is incorrect, according to the
> manual. According to the manual, I should have some parameters
> missing, but in my "fcrmod" output, I do not. Can some one tell me what
> I am doing wrong. I checked the AMBER mailing list and googled, but I
> could not find anything relating to this problem.
>
>

-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       -				-
  - University of Rochester      -				-
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  - Rochester, NY 14627-0216     - Ph.:(585) 275 67 66 (Office)	-
  - http://www.pas.rochester.edu/~yildirim/			-
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Received on Sun Mar 19 2006 - 06:10:08 PST
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