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makson96 / Dynamics

Dynamics PyMOL Plugin
GNU General Public License v3.0
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Work with Gromacs 2016.1? #79

Closed rjrich closed 7 years ago

rjrich commented 7 years ago

When I tried to run the plugin, I got the error message shown below. Is this because I need to configure it for Gromacs 2016.1? Will it run with this version of Gromacs?

Thank you.

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Error: 1 <type 'exceptions.IndexError'> Exception in Tk callback Function: <function init_function at 0x7fe746548398> (type: <type 'function'>) Args: () Traceback (innermost last): File "/home/rjrich/pymol/modules/Pmw/Pmw_1_2/lib/PmwBase.py", line 1747, in call return apply(self.func, args) File "/home/rjrich/pymol/modules/pmg_tk/startup/pymol_plugin_dynamics.py", line 1007, in init_function gromacs = Gromacs_output() File "/home/rjrich/pymol/modules/pmg_tk/startup/pymol_plugin_dynamics.py", line 63, in init gromacs_version = "GROMACS VERSION " + version[1] <type 'exceptions.IndexError'>: list index out of range

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ghost commented 7 years ago

GROMACS 2016.1 was not tested for this plugin, so problems may occur.

Could you please provide the content of ~/.dynamics/test_gromacs.txt ?

ghost commented 7 years ago

New way of detecting GROMACS is now implemented in 2.0 branch and master branch. As a result master branch of the plugin should work with GROMACS 2016.x releases as long, as they do not break API.