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mods to restart mode #39

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khavernathy opened this issue Nov 10, 2017 · 1 comment

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bug enhancement

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khavernathy commented Nov 10, 2017 •

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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 changed the title ~~check if input was .xyz in restart mode~~ mods to restart mode

khavernathy added enhancement bug labels

Owner Author

khavernathy commented Apr 26, 2018

possible issues when overwriting the input atoms file with old restart file?

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