Mercurial > repos > fmercuri > gmx_editconf_daimoners
comparison editconf.xml @ 9:c9eb918656a5 draft
Uploaded
| author | fmercuri |
|---|---|
| date | Fri, 25 Jun 2021 17:01:08 +0000 |
| parents | ac4e0d30dcbb |
| children |
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| 8:ac4e0d30dcbb | 9:c9eb918656a5 |
|---|---|
| 7 | 7 |
| 8 <expand macro="requirements" /> | 8 <expand macro="requirements" /> |
| 9 | 9 |
| 10 <command detect_errors="exit_code"><![CDATA[ | 10 <command detect_errors="exit_code"><![CDATA[ |
| 11 | 11 |
| 12 echo "boxtype.boxytype:" $boxtype.boxtype >> verbose.txt && | |
| 13 | |
| 12 ln -s '$input_file' ./input.$input_file.ext && | 14 ln -s '$input_file' ./input.$input_file.ext && |
| 13 gmx editconf | 15 gmx editconf |
| 14 -f ./input.$input_file.ext | 16 -f ./input.$input_file.ext |
| 15 -o ./output.${output_format} | 17 -o ./output.${output_format} |
| 16 #if $box.config == "true": | 18 #if $box.config == "true": |