[gmx-users] Translating .frcmod and .prep to .itp
tyugashev at niboch.nsc.ru
Thu Jul 2 13:17:00 CEST 2015
I have parameters for 8-oxoguanine in FRCMOD and PREP files. Adding
information from .prep file to dna.rtp an creating a modified entry in
dna.hdb is simple enough.
However I'm stuck now translating bond and angle data from .frcmod to
.itp file, as its notation system is very different and its GROMACS
manual section (5.3.3) lacks any substantial description of its formatting.
Is there any scripts or howtos for this, or at least a more detailed
description for ffbonded.itp?
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