[gmx-users] Re: do_dssp error

[Erik Marklund]

And I replied "What's your dssp version? The most recent ones have different flags that are not yet supported by gromacs."

Erik

30 mar 2012 kl. 13.23 skrev Albert:

> Hello:
>  there is some problem for my do_dssp, it always claimed:
> 
> Program do_dssp_d, VERSION 4.5.5
> Source code file: do_dssp.c, line: 572
> Fatal error:
> Failed to execute command: /usr/local/bin/dssp -na ddg1g7Id ddRwthIi > /dev/null 2> /dev/null
> 
> 
> someone suggest to compile gromacs with double precision and I recompiled it with --enable-double
> but it still doesn't work.....
> 
> does anybody else have any suggestions?
> 
> THX
> -- 
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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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