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Multimer input #24

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keisuke-yanagisawa opened this issue May 21, 2023 · 1 comment
Open

Multimer input #24

keisuke-yanagisawa opened this issue May 21, 2023 · 1 comment

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@keisuke-yanagisawa
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The preparation assumes single protein to generate position restraints.
This modification is done usually, and I believe any preparation tools can do (it is independent from MSMD).
@keisuke-yanagisawa
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keisuke-yanagisawa commented Aug 21, 2023 •
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it has been done in 840ceda. But the modification causes a hard restriction that the residue numbers must be adjacented and ordered.
gmx editconf -f NON_ORDERED.pdb -o ORDERED.pdb -resnr 1 can solve the non-adjacent problem.

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