[gmx-users] topolbuild1_3 install problem

[Bruce D. Ray]

On Mon, December 27, 2010 at 5:02 AM, gromacs564 <gromacs564 at 126.com> wrote:
> Hi, Mark,
>  Thanks for the reply.
>  You'are right,I forgot to enter the path.And my computer system is  Ubuntu 
>10.04.I want to use
>  the glycam force filed, then I type the  command:
>         software/topolbuild1_3/src/topolbuild -h
> I got the correct "help information".
> But when I type this integral command:
>        software/topolbuild1_3/src/topolbuild -n myt -dir 
>software/topolbuild1_3/dat/leap/parm -ff glycam06_c -r MAL -rename 
>
> ----------------------------------------------------------------
> it's error:
>   ****@ubuntu:~$ software/topolbuild1_3/src/topolbuild -n myt -dir 
>software/topolbuild1_3/dat/leap/parm  -ff glycam06_c -r MAL -rename
> Fatal error.
> Source code file: atom_types.c, line: 87
> Cannot open file 
>software/topolbuild1_3/src/dat/parm/dat/antechamber/ATOMTYPE_GLYCAM.DEF
> --------------------------------------------------------------------
>  

> Do you know how to solve this problem ?
> Thanks for you reply!
 
The problem is that you are giving the wrong directory after -dir
The -dir parameter entry is supposed to point to the directory that contains the 
dat
directory because it needs the atom types file as well as the leap parameters 
file
Try instead:
     software/topolbuild1_3/src/topolbuild -n myt -dir software/topolbuild1_3 
-ff glycam06_c -r MAL -rename

I hope this helps as well.


-- 
Bruce D. Ray, Ph.D.
Associate Scientist
IUPUI
Physics Dept.
402 N. Blackford St.
Indianapolis, IN  46202-3273


      
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