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25 lines
645 B
Plaintext
25 lines
645 B
Plaintext
mol2rtp
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Version: 1.0
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Author: Evgeniy Alexeev aka arcanis
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Email: esalexeev@gmail.com
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mol2rtp convert *.mol2 file in GROMACS topology
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file (*.rtp).
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Usage:
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mol2rtp [MOL2.FILE] [RTP.FILE]
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For example:
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mol2rtp exmpl.mol2 exmpl.rtp
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NOTE: You must edit molecular mechanics atom types
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in output *.rtp-file, because atom types in *.mol2
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file don't match GROMACS atom types.
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Compile:
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gcc mol2rtp.c -o mol2rtp
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Dependence:
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* gcc
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* libs: string.h, stdlib.h, stdio.h
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