[gmx-users] GROMACS 5.1.4 and dssp 2.2.1
joao.m.a.henriques at gmail.com
Tue Mar 13 09:02:29 CET 2018
Also, if you're exporting DSSP="/.../dssp" and your bin contains mkdssp and
not dssp, then that's going to fail for obvious reasons. Either export
or create a link to mkdssp within the same directory with the name "dssp"
(ln -s mkdssp dssp). Export and executable name must match.
On Tue, Mar 13, 2018 at 8:58 AM, João Henriques <
joao.m.a.henriques at gmail.com> wrote:
> "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.
> 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
>> I can run mkdssp and it is placed in bin. Is it a compatibility problem
>> Thanks in advance.
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