Loading OPTIM's min.data.info files into PATHSAMPLE: Difference between revisions
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import>Ss2029 No edit summary |
import>Ss2029 No edit summary |
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Input: |
Input: |
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<pre> |
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WORK/GMIN/coord.1 to coord.N - N minima generated by GMIN |
WORK/GMIN/coord.1 to coord.N - N minima generated by GMIN |
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+ |
+ |
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coords.inpcrd, coords.prmtop, perm.allow, min.in |
coords.inpcrd, coords.prmtop, perm.allow, min.in |
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+ |
+ |
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odata, the optim input file |
odata, the optim input file |
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</pre> |
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Revision as of 14:14, 25 May 2011
Input:
WORK/GMIN/coord.1 to coord.N - N minima generated by GMIN + coords.inpcrd, coords.prmtop, perm.allow, min.in + odata, the optim input file