[gmx-users] secondary structure analysis

Joe Jordan e.jjordan12 at gmail.com
Wed May 16 11:43:37 CEST 2018


You have to point to where you have dssp installed. This may require you to
install dssp.

On Wed, May 16, 2018 at 11:41 AM, SHAHEE ISLAM <islamshahee at gmail.com>
wrote:

> i want calculate the secondary structure of protein in gromacs.but
> when i am using this command
>
> do_dssp -f dynamic.xtc -s dynamic.tpr -sc scount.xvg -o ss.xpm -dt 10
>
> getting this error
> Program do_dssp, VERSION 4.5.5
> Source code file: /build/buildd/gromacs-4.5.5/src/tools/do_dssp.c, line:
> 572
>
> Fatal error:
> Failed to execute command: /usr/local/bin/dssp -na ddsbJ3bY ddT7Ubn7 >
> /dev/null 2> /dev/null
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>       how i will solve this problem.please help me
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-- 
Joe Jordan


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