Re: AMBER: Compiling antechamber on amber 8

From: Junmei Wang <JWang.encysive.com>
Date: Fri, 3 Oct 2003 09:50:01 -0500

I think this is because the versions of bondtype.C and the included files,
such as ac.c and mol2.c are not same. I have tested the package in cygwin
using gcc/g++ and it is fine.
Please download all the files in /src/antechamber and recompile it. Please
let me know if there are still errors ...

Best

Junmei

===============================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals
7000 Fannin, Houston TX 77030
Tel: 713-5786649
Email: jwang.tbc.com
Homepage: Http://sigyn.compchem.ucsf.edu/members/jmwang/index.html
===============================================================



                                                                           
             Mengjuei Hsieh
             <mjhsieh.yahoo.co
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                                                                   Subject
                                       AMBER: Compiling antechamber on
             10/03/2003 05:10 amber 8
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Hi,

When compiling antechamber for amber 8, the compiler (g++ or icc) gave me
several errors and refused to continue.
Any idea?

Followed by the error messages of Intel Compiler, g++ gave the same errors
except different phrasing. 

--
Mengjuei, Luo group, Molecular Biology & Biochem,
University of California Irvine.
<log>
$ icc -c bondtype.C
bondtype.C(925): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                  overflow_flag = rac(ifilename, &atomnum, atom, &bondnum,
bond, cinfo, minfo);
^
bondtype.C(925): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                  overflow_flag = rac(ifilename, &atomnum, atom, &bondnum,
bond, cinfo, minfo);
^
bondtype.C(927): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                  overflow_flag = rmol2(ifilename, &atomnum, atom,
&bondnum,
bond, cinfo, minfo, 0);
^
bondtype.C(927): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                  overflow_flag = rmol2(ifilename, &atomnum, atom,
&bondnum,
bond, cinfo, minfo, 0);
^
bondtype.C(950): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                          rac(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo);
                                                                         ^
bondtype.C(950): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                          rac(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo);
^
bondtype.C(952): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                          rmol2(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo, 0);
^
bondtype.C(952): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                          rmol2(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo, 0);
^
compilation aborted for bondtype.C (code 2)
</log>
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Received on Fri Oct 03 2003 - 16:53:01 PDT
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