Dear Dr. Junmei Wang
I am working with Amber 8 package, but it seems me better to inquir my
agancy who has treated this package.
I wait for your latest code being open for Web, any way.
Thank you very much for your help.
Sincerely
Toshifumi Yui
> Hi, Toshifumi,
> We are now preparing a standalone antechamber package and will
> distribute it on the antechamber webpage (linked from the amber home
> page). You may check the web-page two to three weeks late and use the
> latest codes to try. I don't know if it is the latest codes, which may
> slightly different from those in amber8, cause the difference (it works
> for me, but not for you).
>
> Best
>
> Junmei
>
> ==================================================
> Dr. Junmei Wang
> Chemistry & Biophysics
> Encysive Pharmaceuticals Inc.
> 7000 Fannin, Houston TX 77030
> Tel: 713-578-6649
> Email: jwang.encysive.com
> http://amber.scripps.edu/antechamber/antechamber.html
> ==================================================
>
>
> Dear Dr. Junmei Wang
>
> This inquery relates to your advice on Sept. 4th for my trouble of
> antechamber dimension to apply C60 system.
>
>>Just increase the MAXRING to 100 times of the default size and
>>recompile the program. I have no trouble to generate the prep file from
>
>>a mol2 input file for Buckyball.
>
> I'ma afraid that it did not work. Although increasing MAXRING in
> define.h,
> even more than your suggestion, I have received the mesage from program,
>
> The ring number exceeds MAXRING, increase MAXRING and recompile the
> programs, ex
> itCannot open file ANTECHAMBER_BOND_TYPE.AC, exit
>
>
>
> Finally, MAXRING=100000000, 100000 times of default size, the compiler
> reproted the following massage.
>
> icc -c -O2 -o am1bcc.o am1bcc.c
> gcc -static -O2 am1bcc.o -lm -o am1bcc
> icc -c -O2 -o antechamber.o antechamber.c
> ring.c(68): error: array is too large
> RING ringbak[MAXRING];
> ^
>
> antechamber.c(48): error: array is too large
> RING ring[MAXRING];
> ^
>
> compilation aborted for antechamber.c (code 2)
> make: *** [antechamber.o] Error 2
>
>
>
>
> So, what is problem with me ? I should modify the MAXRING entory in some
>
> other part instead of that in "define.h" ?
>
>
> Sincerely,
>
> Toshifumi Yui
> Miyazaki University, Miyazaki 889-2192 Japan
>
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Received on Fri Oct 07 2005 - 03:53:00 PDT
