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How do I fix the error related to gmx grompp /'Invalid order...
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Michelle Roy
How do I fix the error related to gmx grompp /'Invalid order...
"...typically the user is adding some non-standard species (ligand, solvent, etc) that introduces new atom types or parameters into the system ... these new types and parameters must appear before any [moleculetype] directive."
https://www.gromacs.org/Documentation_of_outdated_versions/Errors#Invalid_order_for_directive_xxx
Daryl Storey
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"...typically the user is adding some non-standard species (ligand, solvent, etc) that introduces new atom types or parameters into the system ... these new types and parameters must appear before any [moleculetype] directive."
https://www.gromacs.org/Documentation_of_outdated_versions/Errors#Invalid_order_for_directive_xxx
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Thank you
Martin Klvana
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Armand Welsh
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Thank you
Martin Klvana
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"...typically the user is adding some non-standard species (ligand, solvent, etc) that introduces new atom types or parameters into the system ... these new types and parameters must appear before any [moleculetype] directive."
https://www.gromacs.org/Documentation_of_outdated_versions/Errors#Invalid_order_for_directive_xxx
"...typically the user is adding some non-standard species (ligand, solvent, etc) that introduces new atom types or parameters into the system ... these new types and parameters must appear before any [moleculetype] directive."
https://www.gromacs.org/Documentation_of_outdated_versions/Errors#Invalid_order_for_directive_xxx
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Thank you Martin Klvana !
Thank you Martin Klvana !
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