[gmx-users] GROMACS 5.1.4 and dssp 2.2.1

Simon Kit Sang Chu simoncks1994 at gmail.com
Tue Mar 13 08:45:47 CET 2018


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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