Hello all,
I am trying to generate a parameter file using tleap that utilizes the
AMBER ff14SB force field with ildn modifications. Additionally, I need to
parameterize the TIP3P water model with Joung-Cheatham parameters. I'm
considering the following commands:
source leaprc.protein.ff14SB
loadamberparams frcmod.ff99SBildn
source leaprc.water.tip3p
Specifically, I'm wondering if there is a corresponding frcmod.ff14SBildn
file that should be used in conjunction with leaprc.protein.ff14SB?
with regards,
--
*MIDHUN K MADHU*
Ph.D Student
Dept. of Biological Sciences
IISER Bhopal
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Received on Sat Sep 16 2023 - 14:30:02 PDT