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siminegroup / E2EDNA2 Public

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E2EDNA2

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leap_template.in

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6 lines (6 loc) · 279 Bytes

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E2EDNA2

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leap_template.in

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6 lines (6 loc) · 279 Bytes

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# TARGET_IS_PEPTIDE source leaprc.protein.ff14SB

source leaprc.DNA_FF # leaprc.DNA.OL15 or leaprc.DNA.bsc1

# TARGET_IS_RNA source leaprc.RNA.OL3

myPDB = loadPdb "mySTRUCTURE_amb_processed.pdb"

saveAmberParm myPDB mySTRUCTURE_amb_processed.top mySTRUCTURE_amb_processed.crd

quit

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