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marrink-lab
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vermouth-martinize
Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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Incorrect Bead Types in Elnedyn22p
#428
Closed
fgrunewald
closed
2 years ago
fgrunewald
commented
2 years ago
VAL (wrong bead for the side-chain)
LEU (wrong bead for the side-chain)
ILE (wrong bead for the side-chain)
ASN (wrong bead for the side chain and missing dummy beads with partial charges)
THR (wrong bead for the side-chain)