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 García Fandiño
Molecular Modelling and Bioinformatics Group
Institut de Reçerca Biomèdica
Parc Cientific de Barcelona
08028 Barcelona
rebeca.mmb.pcb.ub.es
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Received on Thu Jun 04 2009 - 01:09:52 PDT
