Hi,
I am trying to simulate a system using the parameters for ions developed by
Joung et al. and implemented in Amber (frcmod.ionsjc_spce).
I have the topology and the crd file. Now, I want to obtain the topology for
Gromacs using amb2gmx.pl, so I must change the default parameters (for tip3p)
included in amb2gmx.pl.
I have seen that in the .tar file ffamber_v4.0 there is no a corresponding itp
file for spc model of water in amber, so what parameters should I include for
the section of bondtypes, angletypes, atoms, bonds, angles, settles,...? Those
corresponding to the SCP in Gromacs directly?
Thank you very much for your help.
Best wishes,
Rebeca Garcia
Academic Visitor
Oxford University
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