[gmx-users] gmx do_dssp not work for gromacs 2020 or 2020.1

[Christian Blau]

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, liuyujie714 at gmail.com wrote: