[gmx-users] how to install DSSP in linux with Gromacs 4.0.7

[Erik Marklund]

16 apr 2012 kl. 13.32 skrev Justin A. Lemkul:

> 
> 
> 李 麗花 wrote:
>> Hi:
>> I am getting upsep to install DSSP in linux with Gromacs 4.0.7
>> I do not know where is the problem
>> which DSSP file I should download it
>> and possible because gromacs 4.0.7 ?
>> could someone can help me to figure out it ?
>> many thanks 
> 
> http://swift.cmbi.ru.nl/gv/dssp/
> 
> Under "Miscellaneous," click "Distribution" and you will find the "DSSPold" executables, which are the old version of DSSP that are compatible with Gromacs.
> 
> -Justin

There's a patch under review that will provide support for DSSP 2.X. Just thought I'd mention it, since there are plenty of questions on the user list regarding do_dssp and this version incompatibility will be resolved in future gromacs releases.

Best,

Erik

> 
> -- 
> ========================================
> 
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html

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