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 - -
- Hutchison Hall, # B10 - -
- 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
