[gmx-users] do_dssp

[David van der Spoel]

On Thu, 2004-06-03 at 13:22, Raghunadha Reddy Burri wrote:
> Dear gmx-users,
> 
> While I am using gromacs 3.2.1, 
> 
> I have problem in do_dssp, for first time dssp that asking for PATH then I 
> used setenv
> 
> setenv DSSP /usr/local/software/gromacs-3.2.1/i686-pc-linux-gnu/bin
> 
download a new dssp executable from Univ. Nijmegen and point the env.
var to it (not to a directory, as you have here...)

> next time that going to endless loop, like 
> .
> .
> .
> .
> Selected 0: 'System'
> There are 18 residues in your selected group
> Opening library file /usr/local/software/gromacs-3.2.1/share/top/ss.map
> Reading frame       0 time    0.000
> Back Off! I just backed up dd3kCOpw to ./#dd3kCOpw.1#
> 
> Their is any problem in output file or some where else!!
> please give me suggestions to over come this problem
> 
> Thank you for your time and consideration
> 
> Till Then
> 
> Burri
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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