Hello Yujie Liu,
I am guessing the issue a bit from the brief title, let me know if
installing the external program required to run dssp as described below
is addressing the issue or if this is something that used to work in
GROMACS 2019 and suddenly stopped working, in which case I would need
quite a bit more information.
Dssp in gromacs relies on an external program to run which you can find
here: http://swift.cmbi.ru.nl/gv/dssp , just installing GROMACS does not
suffice.
The manual is hinting at this here:
http://manual.gromacs.org/documentation/current/onlinehelp/gmx-do_dssp.html
There is a newer version available on github - see here:
https://github.com/cmbi/dssp
which might compile better.
Best,
Christian
On 2020-03-19 11:48, liuyujie...@gmail.com wrote:
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