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mods to restart mode #39
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khavernathy
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check if input was .xyz in restart mode
mods to restart mode
Nov 10, 2017
possible issues when overwriting the input atoms file with old restart file? |
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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.
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