[gmx-users] dssp problem

Osmany Guirola Cruz osmany.guirola at cigb.edu.cu
Tue Oct 5 15:14:58 CEST 2004


Hi 
 I have the same problem with my dssp.....
my dssp works with a single pdb without problems but when i do dssp i have a 
similar problem ...
i have my binary in 
/home/osmany/bin/
and then do setenv DSSP /home/osmany/bin/dssp


On Wednesday 29 September 2004 09:59, smith wrote:
> This is a multipart mime message
>
> dear users,
>
>  I installed the dsspcmbi.zip program in usr/local/bin/ area.unziped it and
> compiled for linux system
>
>  *I set the path as setenv DSSP  /usr/local/bin/dsspcmbi
>
>  *The do_dssp command does not produce any result 
>
>  Select a group: 3
>  Selected 3: 'C-alpha'
>  There are 200 residues in your selected group
>  Opening library file /usr/local/gromacs/share/top/ss.map
>  trn version: GMX_trn_file (single precision)
>  Reading frame      0 time    0.000
>  Back Off! I just backed up ddC9pfVk to ./#ddC9pfVk.1#
>
>  *But I dont get any output.There is no problem with storage space.
>
>  I dont know where the problem is.
>
>  Any suggestions/experience like this.need help
>
>  cheers
>  smith




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