Updated config to be compatible with Gromacs 5.1.1 #53
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Since Gromacs 5.1.x removed the use of g_* methods, instead opting only for the new ``gmx <command>`` style, this config features the necessary bits to use the commands this way. This configuration will *not* work for Gromacs 4.x or earlier. We will hopefully replace this config style with one that works for multiple versions more flexibly with #49. Removed ``extras``, as these tools are no longer maintained and it's not clear that they will work as expected under this config.
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fastest merge ever ;-) |
This was referenced Apr 20, 2016
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Since Gromacs 5.1.x removed the use of g_* methods, instead opting only
for the new
gmx <command>style, this config features the necessarybits to use the commands this way. This configuration will not work
for Gromacs 4.x or earlier. We will hopefully replace this config style
with one that works for multiple versions more flexibly with #49.
Removed
extras, as these tools are no longer maintained and it's notclear that they will work as expected under this config.