[gmx-users] GROMACS 5.1.4 and dssp 2.2.1

[João Henriques]

"Fatal error: Failed to execute command: Try specifying your dssp version
with the -ver option."

Did you follow the error message suggestion? With DSSP 2.2.1 you need to
set "-ver 2" on your gmx do_dssp command.

J

On Tue, Mar 13, 2018 at 8:45 AM, Simon Kit Sang Chu <simoncks1994 at gmail.com>
wrote:

> Hi everyone.
>
> I am trying to run do_dssp with GROMACS 5.1.4 and dssp 2.2.1. It returned
> an error:
>
>
> Fatal error:
> Failed to execute command: Try specifying your dssp version with the -ver
> option.
>
>
> I can run mkdssp and it is placed in bin. Is it a compatibility problem
> here?
>
> Thanks in advance.
>
> Regards.
> Simon
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