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
I wish I could offer some help. br/I used to prepare small compound
molecules, and the ligand.frcmod was generated by parmchk of AMBER. The
ligand.frcmod was then handed to tleap or xleap of AMBER, to generate
ligand.prmtop and ligand.inpcrd. Following that, a python script called
acpype.py
On 7/2/15 7:16 AM, Timofey Tyugashev wrote:
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
