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mods to restart mode #39

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khavernathy opened this issue Nov 10, 2017 · 1 comment
Open

mods to restart mode #39

khavernathy opened this issue Nov 10, 2017 · 1 comment

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@khavernathy
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khavernathy commented Nov 10, 2017

detect if input_atoms_xyz was used, otherwise restart.pdb will overwrite the .xyz

i.e.
if xyz input is used, also print restart.xyz (and use that for restart.)

Also update SA temperature in input for restart mode.

Also investigate restart overwrites of runlog.

@khavernathy khavernathy changed the title check if input was .xyz in restart mode mods to restart mode Nov 10, 2017
@khavernathy
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possible issues when overwriting the input atoms file with old restart file?

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