[gmx-users] Question about make_ndx and g_angle

[Chang Woon Jang]

Dear Riccardo Concu, 

      The reason is that I used the make_ndx file in the working directory. Now, I solved that problem with installing gromacs as following  

cmake .. -DGMX_BUILD_OWN_FFTW=Off
Anyway, I appreciate your comment.

Best regards,
Changwoon Jang





On Friday, November 8, 2013 3:31 AM, Riccardo Concu <ric.concu at gmail.com> wrote:
 
Dear Changwoon,
why are you using ./make_ndx instead of make_ndx? Did you try to use the
command without ./?
Regards

El jue, 07-11-2013 a las 14:12 -0800, Chang Woon Jang escribió:
> Dear Users, 
> 
>      I am using openSUSE 12.3 and try to use make_ndx and g_angle. When I try the following command, there is an error message. 
> 
> > ./make.ndx -f data.pdb
> 
> ./make_ndx: error while loading shared libraries: libcudart.so.4:cannot open shared object file: No such file or directory
> 
> Do I need cuda library in order to use "make_ndx" and "g_angle" ?
> 
> Thanks. 
> 
> Best regards,
> Changwoon Jang


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